Net topology

pbg-e

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

144 vertices and 288 edges in the unit cell. 48 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 = 7.7409 Å, b = 7.7409 Å, c = 7.7409 Å
Cell angles: α = 90.00°, β = 90.00°, γ = 90.00°
Atoms in cell: 144
Transitivity pqrs: 2, 3, *, *
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 2 3 0 0 0 2 6 0 0 0 2 7 0 0 0 3 8 0 0 0 3 9 0 0 0 4 5 0 0 0 4 10 0 0 0 4 11 0 0 0 5 12 0 0 0 5 13 0 0 0 6 7 0 0 0 6 14 0 0 0 6 15 0 0 0 7 16 0 0 0 7 17 0 0 0 8 9 0 0 0 8 18 0 0 0 8 19 0 0 0 9 20 0 0 0 9 21 0 0 0 10 11 0 0 0 10 22 0 0 0 10 23 0 0 0 11 24 0 0 0 11 25 0 0 0 12 13 0 0 0 12 26 0 0 0 12 27 0 0 0 13 28 0 0 0 13 29 0 0 0 14 15 0 0 0 14 30 0 0 0 14 31 0 0 0 15 32 0 0 0 15 33 0 0 0 16 17 0 0 0 16 34 0 0 0 16 35 0 0 0 17 20 0 0 0 17 36 0 0 0 18 19 0 0 0 18 37 0 0 0 18 38 0 0 0 19 39 0 0 0 19 40 0 0 0 20 21 0 0 0 20 36 0 0 0 21 41 0 0 0 21 42 0 0 0 22 23 0 0 0 22 43 0 0 0 22 44 0 0 0 23 37 0 0 0 23 45 0 0 0 24 25 0 0 0 24 46 0 0 0 24 47 0 0 0 25 28 0 0 0 25 36 1 0 0 26 27 0 0 0 26 33 0 0 0 26 48 0 0 0 27 49 0 0 0 27 50 0 0 0 28 29 0 0 0 28 36 1 0 0 29 51 0 0 0 29 52 0 0 0 30 31 0 0 0 30 41 0 1 0 30 53 0 0 0 31 54 0 0 0 31 55 0 0 0 32 33 0 0 0 32 42 0 1 0 32 56 0 0 0 33 48 0 0 0 34 35 0 0 0 34 38 0 0 1 34 57 0 0 0 35 39 0 0 1 35 58 0 0 0 37 38 0 0 0 37 45 0 0 0 38 57 0 0 -1 39 40 0 0 0 39 58 0 0 -1 40 59 0 0 0 40 60 0 0 0 41 42 0 0 0 41 53 0 -1 0 42 56 0 -1 0 43 44 0 0 0 43 51 -1 1 -1 43 58 0 1 -1 44 61 0 0 0 44 62 0 0 0 45 52 -1 1 -1 45 63 0 0 0 46 47 0 0 0 46 48 0 0 -1 46 64 0 0 0 47 49 0 0 -1 47 53 1 -1 0 48 64 0 0 1 49 50 0 0 0 49 53 1 -1 1 50 65 0 0 0 50 66 0 0 0 51 52 0 0 0 51 58 1 0 0 52 63 1 -1 1 54 55 0 0 0 54 60 -1 1 0 54 67 0 0 0 55 57 0 0 0 55 68 0 0 0 56 59 0 1 0 56 69 0 0 0 57 68 0 0 0 59 60 0 0 0 59 69 0 -1 0 60 67 1 -1 0 61 62 0 0 0 61 65 0 1 -1 61 67 1 0 0 62 64 0 0 0 62 70 0 0 0 63 66 -1 1 -1 63 71 0 0 0 64 70 0 0 0 65 66 0 0 0 65 67 1 -1 1 66 71 1 -1 1 68 69 -1 0 0 68 72 0 0 0 69 72 1 0 0 70 71 1 0 0 70 72 1 0 -1 71 72 0 0 -1
(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: 33f8736ba4a0df3d9527e97b461eb709 (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: 144 of 144 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. 144 of 144 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	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
1	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
2	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
3	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
4	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
5	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
6	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
7	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
8	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
9	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
10	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
11	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
12	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
13	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
14	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
15	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
16	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
17	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
18	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
19	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
20	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
21	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
22	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
23	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
24	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
25	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
26	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
27	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
28	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
29	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
30	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
31	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
32	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
33	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
34	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
35	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
36	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
37	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
38	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
39	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
40	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
41	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
42	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
43	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
44	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
45	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
46	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
47	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
48	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
49	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
50	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
51	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
52	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
53	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
54	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
55	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
56	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
57	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
58	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
59	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
60	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
61	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
62	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
63	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
64	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
65	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
66	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
67	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
68	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
69	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
70	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
71	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
72	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
73	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
74	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
75	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
76	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
77	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
78	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
79	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
80	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
81	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
82	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
83	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
84	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
85	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
86	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
87	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
88	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
89	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
90	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
91	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
92	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
93	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
94	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
95	4	1	3.3.6.7.7.8(2)	4 8 15 27 40 66 99 121 154 192
96	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
97	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
98	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
99	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
100	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
101	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
102	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
103	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
104	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
105	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
106	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
107	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
108	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
109	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
110	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
111	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
112	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
113	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
114	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
115	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
116	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
117	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
118	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
119	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
120	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
121	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
122	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
123	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
124	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
125	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
126	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
127	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
128	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
129	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
130	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
131	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
132	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
133	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
134	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
135	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
136	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
137	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
138	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
139	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
140	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
141	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
142	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191
143	4	2	3.3.8.8.9(2).9(2)	4 8 16 24 44 64 93 128 154 191

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): 2, 3 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): pbg-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 2 3 0 0 0 2 6 0 0 0 2 7 0 0 0 3 8 0 0 0 3 9 0 0 0 4 5 0 0 0 4 10 0 0 0 4 11 0 0 0 5 12 0 0 0 5 13 0 0 0 6 7 0 0 0 6 14 0 0 0 6 15 0 0 0 7 16 0 0 0 7 17 0 0 0 8 9 0 0 0 8 18 0 0 0 8 19 0 0 0 9 20 0 0 0 9 21 0 0 0 10 11 0 0 0 10 22 0 0 0 10 23 0 0 0 11 24 0 0 0 11 25 0 0 0 12 13 0 0 0 12 26 0 0 0 12 27 0 0 0 13 28 0 0 0 13 29 0 0 0 14 15 0 0 0 14 30 0 0 0 14 31 0 0 0 15 32 0 0 0 15 33 0 0 0 16 17 0 0 0 16 34 0 0 0 16 35 0 0 0 17 20 0 0 0 17 36 0 0 0 18 19 0 0 0 18 37 0 0 0 18 38 0 0 0 19 39 0 0 0 19 40 0 0 0 20 21 0 0 0 20 36 0 0 0 21 41 0 0 0 21 42 0 0 0 22 23 0 0 0 22 43 0 0 0 22 44 0 0 0 23 37 0 0 0 23 45 0 0 0 24 25 0 0 0 24 46 0 0 0 24 47 0 0 0 25 28 0 0 0 25 36 1 0 0 26 27 0 0 0 26 33 0 0 0 26 48 0 0 0 27 49 0 0 0 27 50 0 0 0 28 29 0 0 0 28 36 1 0 0 29 51 0 0 0 29 52 0 0 0 30 31 0 0 0 30 41 0 1 0 30 53 0 0 0 31 54 0 0 0 31 55 0 0 0 32 33 0 0 0 32 42 0 1 0 32 56 0 0 0 33 48 0 0 0 34 35 0 0 0 34 38 0 0 1 34 57 0 0 0 35 39 0 0 1 35 58 0 0 0 37 38 0 0 0 37 45 0 0 0 38 57 0 0 -1 39 40 0 0 0 39 58 0 0 -1 40 59 0 0 0 40 60 0 0 0 41 42 0 0 0 41 53 0 -1 0 42 56 0 -1 0 43 44 0 0 0 43 51 -1 1 -1 43 58 0 1 -1 44 61 0 0 0 44 62 0 0 0 45 52 -1 1 -1 45 63 0 0 0 46 47 0 0 0 46 48 0 0 -1 46 64 0 0 0 47 49 0 0 -1 47 53 1 -1 0 48 64 0 0 1 49 50 0 0 0 49 53 1 -1 1 50 65 0 0 0 50 66 0 0 0 51 52 0 0 0 51 58 1 0 0 52 63 1 -1 1 54 55 0 0 0 54 60 -1 1 0 54 67 0 0 0 55 57 0 0 0 55 68 0 0 0 56 59 0 1 0 56 69 0 0 0 57 68 0 0 0 59 60 0 0 0 59 69 0 -1 0 60 67 1 -1 0 61 62 0 0 0 61 65 0 1 -1 61 67 1 0 0 62 64 0 0 0 62 70 0 0 0 63 66 -1 1 -1 63 71 0 0 0 64 70 0 0 0 65 66 0 0 0 65 67 1 -1 1 66 71 1 -1 1 68 69 -1 0 0 68 72 0 0 0 69 72 1 0 0 70 71 1 0 0 70 72 1 0 -1 71 72 0 0 -1
Key against the archive (mofplus-deposit): the same key, character for character
TD10 as Systre prints it (mofplus-deposit): 727
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): 727.0
Genus (mofplus-deposit): 73
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): 727.0
Genus (rcsr-archive-key): 73
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): (3^2.6.7^2.8)2(3^2.8^2.9^2)
Longest ring searched (mofplus-deposit): 40
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	3.3.6.7.7.8(2)	3.3.6.8.14(2).14(2)	3^2.6.7^2.8	4 8 15 27 40 66 99 121 154 192
96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143	3.3.8.8.9(2).9(2)	3.3.8.8.14(4).14(4)	3^2.8^2.9^2	4 8 16 24 44 64 93 128 154 191

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

Net point symbol (rcsr-archive-key): (3^2.6.7^2.8)2(3^2.8^2.9^2)
Longest ring searched (rcsr-archive-key): 40
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, 5, 7, 9, 11, 15, 20, 23, 28, 30, 32, 35, 36, 39, 43, 49, 52, 55, 56, 57, 62, 63, 66, 71	3.3.8.8.9(2).9(2)	3.3.8.8.14(4).14(4)	3^2.8^2.9^2	4 8 16 24 44 64 93 128 154 191
1, 2, 3, 4, 6, 8, 10, 12, 13, 14, 16, 17, 18, 19, 21, 22, 24, 25, 26, 27, 29, 31, 33, 34, 37, 38, 40, 41, 42, 44, 45, 46, 47, 48, 50, 51, 53, 54, 58, 59, 60, 61, 64, 65, 67, 68, 69, 70	3.3.6.7.7.8(2)	3.3.6.8.14(2).14(2)	3^2.6.7^2.8	4 8 15 27 40 66 99 121 154 192

Cross-checks

Name against the computed key: corroborated-by-systre-key
Stored symbols against the computed ones: corroborated: 144 of 144 vertex rows agree with mofpp.rings v2 (mofplus-deposit).
Stored sequences against the computed ones: corroborated: 144 of 144 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: pbg-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: 1521 (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: 2280 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). pbg-e [net]. MOF++ dataset release unreleased. Record: https://mofpp.ramabile.casa/net/pbg-e

Permanent URI: https://mofpp.ramabile.casa/net/pbg-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("pbg-e")

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