Net topology

iac-e

Ingested production record from rcsr+mofplus. Per-field provenance in field_sources.

96 vertices and 336 edges in the unit cell. 108 of them leave the cell and continue into a neighbouring one; those are drawn in the accent colour and end at a hollow node. Squares are vertices of coordination 5 or more, circles of 4 or fewer. Drag to rotate, or focus the figure and use the arrow keys.

Crystallographic description

Spacegroup: Ia-3d (No. 230)
Cell lengths: a = 4.5641 Å, b = 4.5641 Å, c = 4.5641 Å
Cell angles: α = 90.00°, β = 90.00°, γ = 90.00°
Atoms in cell: 96
Transitivity pqrs: 1, 5, *, *
Catenated: no; No, computed from the graph of the net itself rather than read off its name: mofpp.periodicity v1 finds a single copy, so it is not interpenetrated on the MOF+ deposit, the graph of the uploaded topology file. Interpenetration is counted here as the number of separate copies of the net that share one repeat unit, so this is a measurement of the topology and not a marker in a string.

Canonical key

Systre key: 3 1 2 0 0 0 1 3 0 0 0 1 4 0 0 0 1 5 0 0 0 1 6 0 0 0 1 7 0 0 0 1 8 0 0 0 2 3 0 0 0 2 4 0 0 0 2 9 0 0 0 2 10 0 0 0 2 11 0 0 0 2 12 0 0 0 3 5 0 0 0 3 11 0 0 0 3 13 0 0 0 3 14 0 0 0 3 15 0 0 0 4 5 0 0 0 4 11 0 0 0 4 16 0 0 0 4 17 0 0 0 4 18 0 0 0 5 11 0 0 0 5 19 0 0 0 5 20 0 0 0 5 21 0 0 0 6 7 0 0 0 6 8 0 0 0 6 22 0 0 0 6 23 0 0 0 6 24 0 0 0 6 25 0 0 0 7 8 0 0 0 7 12 0 0 0 7 14 1 0 0 7 17 0 0 0 7 19 1 0 0 8 26 0 0 0 8 27 0 0 0 8 28 0 0 0 8 29 0 0 0 9 10 0 0 0 9 12 0 0 0 9 30 0 0 0 9 31 0 0 0 9 32 0 0 0 9 33 0 0 0 10 12 0 0 0 10 34 0 0 0 10 35 0 0 0 10 36 0 0 0 10 37 0 0 0 11 38 0 0 0 11 39 0 0 0 11 40 0 0 0 12 14 1 0 0 12 17 0 0 0 12 39 1 0 0 13 14 0 0 0 13 15 0 0 0 13 41 0 0 0 13 42 0 0 0 13 43 0 0 0 13 44 0 0 0 14 15 0 0 0 14 19 0 0 0 14 39 0 0 0 15 45 0 0 0 15 46 0 0 0 15 47 0 0 0 15 48 0 0 0 16 17 0 0 0 16 18 0 0 0 16 45 0 1 0 16 46 0 1 0 16 47 0 1 0 16 48 0 1 0 17 18 0 0 0 17 19 1 0 0 17 39 1 0 0 18 41 0 0 1 18 42 0 0 1 18 43 0 0 1 18 44 0 0 1 19 20 0 0 0 19 21 0 0 0 19 39 0 0 0 20 21 0 0 0 20 34 -1 -1 1 20 35 -1 -1 1 20 36 -1 -1 1 20 37 -1 -1 1 21 30 -1 0 1 21 31 -1 0 1 21 32 -1 0 1 21 33 -1 0 1 22 23 0 0 0 22 24 0 0 0 22 28 1 0 -1 22 33 0 0 0 22 37 0 -1 0 22 40 1 -1 0 23 25 0 0 0 23 29 1 0 -1 23 40 1 -1 0 23 44 1 0 0 23 46 1 0 0 24 25 0 0 0 24 26 0 0 0 24 40 1 -1 0 24 41 0 -1 1 24 47 0 0 0 25 27 0 0 0 25 30 0 -1 1 25 34 0 -1 1 25 40 1 -1 0 26 27 0 0 0 26 28 0 0 0 26 38 0 -1 1 26 41 0 -1 1 26 47 0 0 0 27 29 0 0 0 27 30 0 -1 1 27 34 0 -1 1 27 38 0 -1 1 28 29 0 0 0 28 33 -1 0 1 28 37 -1 -1 1 28 38 0 -1 1 29 38 0 -1 1 29 44 0 0 1 29 46 0 0 1 30 31 0 0 0 30 32 0 0 0 30 34 0 0 0 31 33 0 0 0 31 35 0 0 0 31 42 1 0 0 31 48 1 1 -1 32 33 0 0 0 32 36 0 -1 0 32 43 0 0 0 32 45 0 0 0 33 37 0 -1 0 34 35 0 0 0 34 36 0 0 0 35 37 0 0 0 35 42 1 0 0 35 48 1 1 -1 36 37 0 0 0 36 43 0 1 0 36 45 0 1 0 38 39 0 0 0 38 40 0 0 0 39 40 0 0 0 41 42 0 0 0 41 43 0 0 0 41 47 0 1 -1 42 44 0 0 0 42 48 0 1 -1 43 44 0 0 0 43 45 0 0 0 44 46 0 0 0 45 46 0 0 0 45 47 0 0 0 46 48 0 0 0 47 48 0 0 0
(rcsr)The canonical Systre key, copied verbatim from the local RCSR Systre archive of 2019-06-01 — and corroborated here rather than carried on the word of the archive alone. Systre 19.6.0 was run on the MOF+ deposit, the graph of the uploaded topology file and computed the same key, character for character, so two independent statements of the canonical form of this net agree. The computed key is served under topology.symmetry with the graph it was computed from and the version that computed it. The checksum beside this key is still the one the archive carries, copied from the same block and neither computed nor verified here.
Checksum: f740b496711052afef9323fb761c4f88 (rcsr)

Vertices

The mapping of coordination sequences onto vertex classes that the source supplied was checked against a walk over the periodic topology of the net itself, one walk per vertex class, and agreed. The sequences are the values the source supplied; the walk settled nothing but which class each one describes.

Corroborated: 96 of 96 stored symbols were recomputed from the topology of the net itself and agree, entry for entry. A vertex symbol of this collection names the shortest cycle at each angle of a vertex, and mofpp.rings v2 (mofplus-deposit) walks those cycles on the deposit graph. The strings shown are still the values the source supplied; what was checked is that they are the values this net has.

Site symmetry. 96 of 96 vertex rows carry one, attributed to computed:mofpp.site_symmetry-v1 (spglib-2.7.0, mofplus-deposit). The site symmetry on each vertex row is the point group of the operations of the net's ideal space group that leave that vertex where it is — its Wyckoff position in the net's maximum-symmetry embedding. It is a property of the net, not of any material built on it, and it is what says whether a four-coordinated vertex is tetrahedral (-43m) or square-planar (4/mmm) — a distinction the coordination number cannot make. Computed in Ia-3d, setting the conventional one, by mofpp.site_symmetry v1 with spglib 2.7.0, from the embedding Systre 19.6.0 computed on the mofplus-deposit. spglib determined the same space group from those coordinates independently, which is a check of two different computations against each other rather than a restatement.

One row per distinct vertex. The coordination sequence counts how many vertices lie at each topological distance; the vertex symbol names the shortest ring at each angle of the vertex; the site symmetry is the vertex's Wyckoff position in the net's maximum-symmetry embedding. The three columns do not carry the same warrant: which of them was corroborated, which was not, and which was computed here, is stated above the table.
#	Coordination	Site symmetry	Vertex symbol	Coordination sequence
0	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
1	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
2	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
3	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
4	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
5	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
6	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
7	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
8	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
9	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
10	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
11	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
12	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
13	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
14	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
15	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
16	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
17	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
18	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
19	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
20	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
21	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
22	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
23	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
24	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
25	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
26	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
27	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
28	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
29	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
30	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
31	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
32	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
33	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
34	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
35	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
36	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
37	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
38	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
39	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
40	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
41	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
42	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
43	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
44	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
45	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
46	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
47	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
48	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
49	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
50	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
51	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
52	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
53	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
54	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
55	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
56	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
57	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
58	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
59	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
60	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
61	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
62	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
63	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
64	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
65	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
66	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
67	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
68	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
69	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
70	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
71	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
72	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
73	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
74	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
75	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
76	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
77	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
78	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
79	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
80	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
81	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
82	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
83	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
84	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
85	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
86	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
87	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
88	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
89	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
90	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
91	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
92	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
93	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
94	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805
95	7	1	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3)	7 23 58 101 173 264 370 498 633 805

Computed topology

Computed here from the quotient graph of the net itself, not transcribed from either source: periodicity, symmetry, invariants and rings, on the MOF+ deposit, the graph of the uploaded topology file and the RCSR archive key, the canonical key the archive states, by mofpp.invariants 2, mofpp.periodicity 1, mofpp.rings 2, mofpp.site_symmetry spglib-2.7.0 systre-19.6.0 v1 and systre 19.6.0 sha256:0d272e98a1a21669bc67a809b95c014ba2a2fb39a6fd2147039201216ab0d48d options:--systreKey wrapper:2. Each basis is analysed on its own and the results are never merged, because a MOF+ deposit and an RCSR archive key are two different graphs that usually describe the same net and sometimes do not. The transitivity r and s are computed by nothing in this project: they count the faces and the tiles of a natural tiling, and none is derived here. That is a measured limit rather than a job not yet done. The Gavrog library this project runs Systre from was tried on 2026-09-12: for a 3-periodic net it has no route from a net to a tiling at all, and for a 2-periodic net it has one that works, whose result is a plane tiling with faces and no tiles and so a transitivity triple rather than an r and an s. This block therefore states p and q and leaves r and s unknown rather than filling them. Every entry carries the tool, its version and input_checksum, the checksum of the graph that was actually analysed, so that a result computed from the graph this record holds now can be told from one computed before it changed. Nothing here rebuilds a graph to check that, so no entry below is claimed to be current.

Periodicity — the MOF+ deposit, the graph of the uploaded topology file

Periodicity (mofplus-deposit): 3-periodic
One connected net (mofplus-deposit): yes
Interpenetration (mofplus-deposit): 1 copy
Computed by (mofplus-deposit): mofpp.periodicity 1 — ok

Periodicity — the RCSR archive key, the canonical key the archive states

Periodicity (rcsr-archive-key): 3-periodic
One connected net (rcsr-archive-key): yes
Interpenetration (rcsr-archive-key): 1 copy
Computed by (rcsr-archive-key): mofpp.periodicity 1 — ok

Symmetry — the MOF+ deposit, the graph of the uploaded topology file

Systre found one connected net in the repeat unit, so the group, the kinds of node and edge, and the key below describe that net.

Ideal space group (mofplus-deposit): Ia-3d (No. 230)
Transitivity p, q (mofplus-deposit): 1, 5 Kinds of node and of edge. r and s count the faces and tiles of a natural tiling, and none is derived here: the library this site runs Systre from cannot produce one for a 3-periodic net at all, and a 2-periodic net tiles the plane, which has faces and no tiles. They stay unknown rather than being filled.
Point-group order (mofplus-deposit): 48
Repeat-unit factor (mofplus-deposit): 2
RCSR identification (mofplus-deposit): iac-e
Computed Systre key (mofplus-deposit): 3 1 2 0 0 0 1 3 0 0 0 1 4 0 0 0 1 5 0 0 0 1 6 0 0 0 1 7 0 0 0 1 8 0 0 0 2 3 0 0 0 2 4 0 0 0 2 9 0 0 0 2 10 0 0 0 2 11 0 0 0 2 12 0 0 0 3 5 0 0 0 3 11 0 0 0 3 13 0 0 0 3 14 0 0 0 3 15 0 0 0 4 5 0 0 0 4 11 0 0 0 4 16 0 0 0 4 17 0 0 0 4 18 0 0 0 5 11 0 0 0 5 19 0 0 0 5 20 0 0 0 5 21 0 0 0 6 7 0 0 0 6 8 0 0 0 6 22 0 0 0 6 23 0 0 0 6 24 0 0 0 6 25 0 0 0 7 8 0 0 0 7 12 0 0 0 7 14 1 0 0 7 17 0 0 0 7 19 1 0 0 8 26 0 0 0 8 27 0 0 0 8 28 0 0 0 8 29 0 0 0 9 10 0 0 0 9 12 0 0 0 9 30 0 0 0 9 31 0 0 0 9 32 0 0 0 9 33 0 0 0 10 12 0 0 0 10 34 0 0 0 10 35 0 0 0 10 36 0 0 0 10 37 0 0 0 11 38 0 0 0 11 39 0 0 0 11 40 0 0 0 12 14 1 0 0 12 17 0 0 0 12 39 1 0 0 13 14 0 0 0 13 15 0 0 0 13 41 0 0 0 13 42 0 0 0 13 43 0 0 0 13 44 0 0 0 14 15 0 0 0 14 19 0 0 0 14 39 0 0 0 15 45 0 0 0 15 46 0 0 0 15 47 0 0 0 15 48 0 0 0 16 17 0 0 0 16 18 0 0 0 16 45 0 1 0 16 46 0 1 0 16 47 0 1 0 16 48 0 1 0 17 18 0 0 0 17 19 1 0 0 17 39 1 0 0 18 41 0 0 1 18 42 0 0 1 18 43 0 0 1 18 44 0 0 1 19 20 0 0 0 19 21 0 0 0 19 39 0 0 0 20 21 0 0 0 20 34 -1 -1 1 20 35 -1 -1 1 20 36 -1 -1 1 20 37 -1 -1 1 21 30 -1 0 1 21 31 -1 0 1 21 32 -1 0 1 21 33 -1 0 1 22 23 0 0 0 22 24 0 0 0 22 28 1 0 -1 22 33 0 0 0 22 37 0 -1 0 22 40 1 -1 0 23 25 0 0 0 23 29 1 0 -1 23 40 1 -1 0 23 44 1 0 0 23 46 1 0 0 24 25 0 0 0 24 26 0 0 0 24 40 1 -1 0 24 41 0 -1 1 24 47 0 0 0 25 27 0 0 0 25 30 0 -1 1 25 34 0 -1 1 25 40 1 -1 0 26 27 0 0 0 26 28 0 0 0 26 38 0 -1 1 26 41 0 -1 1 26 47 0 0 0 27 29 0 0 0 27 30 0 -1 1 27 34 0 -1 1 27 38 0 -1 1 28 29 0 0 0 28 33 -1 0 1 28 37 -1 -1 1 28 38 0 -1 1 29 38 0 -1 1 29 44 0 0 1 29 46 0 0 1 30 31 0 0 0 30 32 0 0 0 30 34 0 0 0 31 33 0 0 0 31 35 0 0 0 31 42 1 0 0 31 48 1 1 -1 32 33 0 0 0 32 36 0 -1 0 32 43 0 0 0 32 45 0 0 0 33 37 0 -1 0 34 35 0 0 0 34 36 0 0 0 35 37 0 0 0 35 42 1 0 0 35 48 1 1 -1 36 37 0 0 0 36 43 0 1 0 36 45 0 1 0 38 39 0 0 0 38 40 0 0 0 39 40 0 0 0 41 42 0 0 0 41 43 0 0 0 41 47 0 1 -1 42 44 0 0 0 42 48 0 1 -1 43 44 0 0 0 43 45 0 0 0 44 46 0 0 0 45 46 0 0 0 45 47 0 0 0 46 48 0 0 0 47 48 0 0 0
Key against the archive (mofplus-deposit): the same key, character for character
TD10 as Systre prints it (mofplus-deposit): 2933
Computed by (symmetry, mofplus-deposit): systre 19.6.0 sha256:0d272e98a1a21669bc67a809b95c014ba2a2fb39a6fd2147039201216ab0d48d options:--systreKey wrapper:2 — ok

Invariants — the MOF+ deposit, the graph of the uploaded topology file

TD10, exact (mofplus-deposit): 2933.0
Genus (mofplus-deposit): 121
Shells walked (mofplus-deposit): 10
Computed by (invariants, mofplus-deposit): mofpp.invariants 2 — ok

Invariants — the RCSR archive key, the canonical key the archive states

TD10, exact (rcsr-archive-key): 2933.0
Genus (rcsr-archive-key): 121
Shells walked (rcsr-archive-key): 10
Computed by (invariants, rcsr-archive-key): mofpp.invariants 2 — ok

Rings — the MOF+ deposit, the graph of the uploaded topology file

Net point symbol (mofplus-deposit): (3^7.4^4.5^6.6^4)
Longest ring searched (mofplus-deposit): 40 Some angle of this net has no ring within that bound. Those angles are written * rather than given a ring that was never found.
Computed by (rings, mofplus-deposit): mofpp.rings 2 — ok

Computed from the graph itself, one row per set of vertices carrying the same symbols. The cycle symbol follows the MOF+ convention — the shortest cycle at each angle — and is the one comparable with the stored column above; the RCSR ring symbol names the shortest *ring* at each angle, with * where none exists within the bound, and is a different quantity.
Vertices	Cycle symbol (MOF+ convention)	RCSR ring symbol	Point symbol	Coordination sequence
0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3) 3 angles have no ring of at most 40 edges	3.3.3.3.3.3.3.4.4.4.4.6.6.6.6.6(2).8.8...*	3^7.4^4.5^6.6^4	7 23 58 101 173 264 370 498 633 805

Rings — the RCSR archive key, the canonical key the archive states

Net point symbol (rcsr-archive-key): (3^7.4^4.5^6.6^4)
Longest ring searched (rcsr-archive-key): 40 Some angle of this net has no ring within that bound. Those angles are written * rather than given a ring that was never found.
Computed by (rings, rcsr-archive-key): mofpp.rings 2 — ok

Computed from the graph itself, one row per set of vertices carrying the same symbols. The cycle symbol follows the MOF+ convention — the shortest cycle at each angle — and is the one comparable with the stored column above; the RCSR ring symbol names the shortest *ring* at each angle, with * where none exists within the bound, and is a different quantity.
Vertices	Cycle symbol (MOF+ convention)	RCSR ring symbol	Point symbol	Coordination sequence
0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47	3.3.3.3.3.3.3.4.4.4(3).4(3).5.5.5.5.5.5.6.6(2).6(2).6(3) 3 angles have no ring of at most 40 edges	3.3.3.3.3.3.3.4.4.4.4.6.6.6.6.6(2).8.8...*	3^7.4^4.5^6.6^4	7 23 58 101 173 264 370 498 633 805

Cross-checks

Name against the computed key: corroborated-by-systre-key
Stored symbols against the computed ones: corroborated: 96 of 96 vertex rows agree with mofpp.rings v2 (mofplus-deposit).
Stored sequences against the computed ones: corroborated: 96 of 96 vertex rows agree with mofpp.invariants v2 (mofplus-deposit), compared on the stored length.
Catenation against the name heuristic: No; agrees with the computed value

Provenance

Source: rcsr+mofplus — reconciled from both, field by field
Identifier at the source: iac-e
Retrieved: 2026-09-09
Licence: CC BY 4.0 — verified from MOF++ project decision, CONTEXT §6 (Licensing): MOF+ is this group's own service, so nets retrieved from it are the project's own data to license, and the project licenses its data CC BY 4.0. No third-party grant is claimed..
Published: yes

Position in the collection

RCSR index: 1001 (derived) Derived by this site, not published by RCSR: the 1-based position of the symbol in the ascending ASCII-lexicographic ordering of the 2930 symbols in the RCSR Systre archive of 2019-06-01. RCSR does not number its nets; this is our ordering of their symbols and nothing more.
Complexity rank: 2196 The order the ingest processed this net in, simplest first. A different number from the RCSR index above, meaning a different thing.

Download

Topology.mfpx
Metadata.json

Cite this record

MOF++ contributors (2026). iac-e [net]. MOF++ dataset release unreleased. Record: https://mofpp.ramabile.casa/net/iac-e

Permanent URI: https://mofpp.ramabile.casa/net/iac-e
No dataset DOI has been registered yet — cite the URI and the release version. Why per-record DOIs are not minted.

Licence

CC BY 4.0

Creative Commons Attribution 4.0 International. The licence is recorded on the record itself, not site-wide — deposits may arrive under different terms.

Cite the source

Reticular Chemistry Structure Resource (RCSR) asks to be cited:

M. O'Keeffe, M. A. Peskov, S. J. Ramsden and O. M. Yaghi, 'The Reticular Chemistry Structure Resource (RCSR) Database of, and Symbols for, Crystal Nets', Acc. Chem. Res. 2008, 41, 1782-1789. DOI: 10.1021/ar800124u

© 2019 RCSR.net — https://rcsr.anu.edu.au
This reference is for the resource, not for this net. RCSR publishes a primary reference per net, but the Systre archive distributed as RCSRnets-2019-06-01.arc carries an empty 'ref' field in all 2930 records. The citation shown is for the RCSR resource as a whole, not for this net specifically.

From a script

from mofplus import user_api
api = user_api()
api.get_net("iac-e")

Or without the client: curl https://mofpp.ramabile.casa/net/iac-e.json