MOF++

Data › Nets › zra-d

Net topology

zra-d

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

JSON · mfpx

40 vertices and 80 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 = 4.2458 Å, b = 4.2458 Å, c = 4.4243 Å
Cell angles
α = 90.00°, β = 90.00°, γ = 120.00°
Atoms in cell
40
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 1 5 0 0 0 2 6 0 0 0 2 7 0 0 0 2 8 0 0 0 3 9 0 0 0 3 10 0 0 0 3 11 0 0 0 4 12 0 0 0 4 13 0 0 0 4 14 0 0 0 5 15 0 0 0 5 16 0 0 0 5 17 0 0 0 6 9 0 0 0 6 18 0 0 0 6 19 0 0 0 7 12 0 0 0 7 20 0 0 0 7 21 0 0 0 8 15 0 0 0 8 22 0 0 0 8 23 0 0 0 9 24 0 0 0 9 25 0 0 0 10 13 0 0 0 10 23 1 0 0 10 26 0 0 0 11 17 0 0 0 11 27 0 0 0 11 28 0 0 0 12 27 0 1 0 12 29 0 0 0 13 30 0 0 0 13 31 0 0 0 14 16 0 0 0 14 19 0 0 1 14 25 0 0 1 15 26 -1 0 0 15 32 0 0 0 16 20 0 -1 1 16 33 0 0 0 17 18 0 -1 1 17 29 0 -1 0 18 20 0 0 0 18 34 0 0 0 19 22 0 0 0 19 29 0 0 -1 20 35 0 0 0 21 32 0 1 0 21 33 0 1 -1 21 36 0 0 0 22 33 0 0 -1 22 37 0 0 0 23 24 -1 0 0 23 36 0 0 0 24 34 0 0 0 24 37 1 0 0 25 31 0 0 -1 25 35 0 -1 0 26 28 0 0 0 26 38 0 0 0 27 30 0 -1 0 27 35 0 -1 0 28 34 0 -1 1 28 39 0 0 0 29 32 0 1 0 30 36 1 0 0 30 39 0 1 0 31 37 1 0 1 31 38 0 0 0 32 39 -1 0 0 33 38 -1 0 0 34 40 0 0 0 35 40 0 0 0 36 40 -1 0 0 37 39 -1 1 -1 38 40 0 -1 1
(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
8bef6bcd3c74969a96063846dc5866f5 (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 4 —5.5.5.5.5.54 12 24 39 66 106 134 175 231 270
1 4 —5.5.5.5.5.54 12 24 39 66 106 134 175 231 270
2 4 —5.5.5.5.5.54 12 24 39 66 106 134 175 231 270
3 4 —5.5.5.5.5.54 12 24 39 66 106 134 175 231 270
4 4 —5.5.5.5.5.64 12 25 40 62 96 130 177 228 274
5 4 —5.5.5.5.5.64 12 25 40 62 96 130 177 228 274
6 4 —5.5.5.5.5.64 12 25 40 62 96 130 177 228 274
7 4 —5.5.5.5.5.64 12 25 40 62 96 130 177 228 274
8 4 —5.5.5.5.5.64 12 25 40 62 96 130 177 228 274
9 4 —5.5.5.5.5.64 12 25 40 62 96 130 177 228 274
10 4 —5.5.5.5.6.64 12 26 46 72 102 132 172 228 282
11 4 —5.5.5.5.6.64 12 26 46 72 102 132 172 228 282
12 4 —5.5.5.5.6.64 12 26 46 72 102 132 172 228 282
13 4 —5.5.5.5.6.64 12 26 46 72 102 132 172 228 282
14 4 —5.5.5.5.6.64 12 26 46 72 102 132 172 228 282
15 4 —5.5.5.5.6.64 12 26 46 72 102 132 172 228 282
16 4 —5.5.5.5.5.54 12 24 40 67 96 133 176 222 271
17 4 —5.5.5.5.5.54 12 24 40 67 96 133 176 222 271
18 4 —5.5.5.5.5.54 12 24 40 67 96 133 176 222 271
19 4 —5.5.5.5.5.54 12 24 40 67 96 133 176 222 271
20 4 —5.5.5.5.5.54 12 24 40 67 96 133 176 222 271
21 4 —5.5.5.5.5.54 12 24 40 67 96 133 176 222 271
22 4 —5.5.5.5.5.54 12 24 40 67 96 133 176 222 271
23 4 —5.5.5.5.5.54 12 24 40 67 96 133 176 222 271
24 4 —5.5.5.5.5.54 12 24 40 67 96 133 176 222 271
25 4 —5.5.5.5.5.54 12 24 40 67 96 133 176 222 271
26 4 —5.5.5.5.5.54 12 24 40 67 96 133 176 222 271
27 4 —5.5.5.5.5.54 12 24 40 67 96 133 176 222 271
28 4 —5.5.5.5.5.64 12 25 44 69 96 133 178 219 277
29 4 —5.5.5.5.5.64 12 25 44 69 96 133 178 219 277
30 4 —5.5.5.5.5.64 12 25 44 69 96 133 178 219 277
31 4 —5.5.5.5.5.64 12 25 44 69 96 133 178 219 277
32 4 —5.5.5.5.5.64 12 25 44 69 96 133 178 219 277
33 4 —5.5.5.5.5.64 12 25 44 69 96 133 178 219 277
34 4 —5.5.5.5.5.64 12 25 44 69 96 133 178 219 277
35 4 —5.5.5.5.5.64 12 25 44 69 96 133 178 219 277
36 4 —5.5.5.5.5.64 12 25 44 69 96 133 178 219 277
37 4 —5.5.5.5.5.64 12 25 44 69 96 133 178 219 277
38 4 —5.5.5.5.5.64 12 25 44 69 96 133 178 219 277
39 4 —5.5.5.5.5.64 12 25 44 69 96 133 178 219 277

Provenance

Source
rcsr+mofplus — reconciled from both, field by field
Identifier at the source
zra-d
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
2916 (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
1737 The order the ingest processed this net in, simplest first. A different number from the RCSR index above, meaning a different thing.