MOF++

Data › Nets › xaa

Net topology

xaa

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

JSON · mfpx

80 vertices and 120 edges in the unit cell. 24 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
not recorded
Cell lengths
a = 6.3132 Å, b = 6.3132 Å, c = 6.3132 Å
Cell angles
α = 90.00°, β = 90.00°, γ = 90.00°
Atoms in cell
80
Transitivity pqrs
not recorded
Catenated
no
No, on the MOF+ name heuristic: that source marks a catenated net by a -c in its name, which the legacy client filters on, and this is that marker read back. A name heuristic, not a computed property of the topology, and not a measurement either source made.

Canonical key

Systre key
3 1 2 0 0 0 1 3 0 0 0 1 4 0 0 0 2 5 0 0 0 2 6 0 0 0 3 7 0 0 0 3 8 0 0 0 4 9 0 0 0 4 10 0 0 0 5 11 0 0 0 5 12 0 0 0 6 13 0 0 0 6 14 0 0 0 7 14 1 0 0 7 15 0 0 0 8 13 0 1 0 8 16 0 0 0 9 12 0 0 1 9 17 0 0 0 10 11 -1 1 1 10 18 0 0 0 11 15 0 -1 -1 12 16 0 -1 -1 13 17 0 -1 -1 14 18 0 -1 -1 15 19 0 0 0 16 20 0 0 0 17 19 0 0 0 18 20 0 0 0 19 20 1 -1 0
(rcsr)The canonical Systre key, copied verbatim from the local RCSR Systre archive of 2019-06-01. It is not computed here and cannot be: no Gavrog/Systre toolchain runs on this machine, so nothing on this site derives, extends, repairs or verifies a key. The checksum served beside it is the one the archive itself carries, copied from the same block, so that this copy can be checked against the upstream file; no checksum is computed or verified here.
Checksum
ff0643bbfa0422256e77a10cecb227f6 (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.

Not corroborated. The coordination sequences beside these symbols carry a corroboration of their own, stated under coordination_sequences; the vertex symbols carry none. A vertex symbol names the shortest ring at each angle of a vertex, no ring perception runs anywhere in this project, and so there is nothing here that could reproduce one: these strings are served on the word of the source alone. What was checked is their shape — a d-coordinated vertex has d(d-1)/2 angles and a whole symbol names a ring at each, and a string that lists fewer is flagged rather than served as a symbol. A string that passes that count can still be wrong in its rings, and nothing here says otherwise.

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 two columns do not carry the same warrant: which of them was corroborated, and which was not, is stated above the table.
# Coordination Site symmetry Vertex symbol Coordination sequence
0 3 —8.8.83 6 12 21 33 46 66 87 108 138
1 3 —8.8.83 6 12 21 33 46 66 87 108 138
2 3 —8.8.83 6 12 21 33 46 66 87 108 138
3 3 —8.8.83 6 12 21 33 46 66 87 108 138
4 3 —8.8.83 6 12 21 33 46 66 87 108 138
5 3 —8.8.83 6 12 21 33 46 66 87 108 138
6 3 —8.8.83 6 12 21 33 46 66 87 108 138
7 3 —8.8.83 6 12 21 33 46 66 87 108 138
8 3 —8.8.83 6 12 21 33 46 66 87 108 138
9 3 —8.8.83 6 12 21 33 46 66 87 108 138
10 3 —8.8.83 6 12 21 33 46 66 87 108 138
11 3 —8.8.83 6 12 21 33 46 66 87 108 138
12 3 —8.8.83 6 12 21 33 46 66 87 108 138
13 3 —8.8.83 6 12 21 33 46 66 87 108 138
14 3 —8.8.83 6 12 21 33 46 66 87 108 138
15 3 —8.8.83 6 12 21 33 46 66 87 108 138
16 3 —8.8.83 6 12 21 33 46 66 87 108 138
17 3 —8.8.83 6 12 21 33 46 66 87 108 138
18 3 —8.8.83 6 12 21 33 46 66 87 108 138
19 3 —8.8.83 6 12 21 33 46 66 87 108 138
20 3 —8.8.83 6 12 21 33 46 66 87 108 138
21 3 —8.8.83 6 12 21 33 46 66 87 108 138
22 3 —8.8.83 6 12 21 33 46 66 87 108 138
23 3 —8.8.83 6 12 21 33 46 66 87 108 138
24 3 —8.8.83 6 12 21 33 46 66 87 108 138
25 3 —8.8.83 6 12 21 33 46 66 87 108 138
26 3 —8.8.83 6 12 21 33 46 66 87 108 138
27 3 —8.8.83 6 12 21 33 46 66 87 108 138
28 3 —8.8.83 6 12 21 33 46 66 87 108 138
29 3 —8.8.83 6 12 21 33 46 66 87 108 138
30 3 —8.8.83 6 12 21 33 46 66 87 108 138
31 3 —8.8.83 6 12 21 33 46 66 87 108 138
32 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
33 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
34 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
35 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
36 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
37 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
38 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
39 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
40 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
41 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
42 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
43 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
44 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
45 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
46 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
47 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
48 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
49 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
50 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
51 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
52 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
53 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
54 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
55 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
56 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
57 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
58 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
59 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
60 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
61 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
62 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
63 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
64 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
65 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
66 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
67 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
68 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
69 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
70 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
71 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
72 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
73 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
74 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
75 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
76 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
77 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
78 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134
79 3 —8(2).9(2).9(2)3 6 12 22 30 49 66 85 114 134

Provenance

Source
rcsr+mofplus — reconciled from both, field by field
Identifier at the source
xaa
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
2677 (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
2079 The order the ingest processed this net in, simplest first. A different number from the RCSR index above, meaning a different thing.