MOF++

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Net topology

pyr

Demonstration record from the development seed — not production data.

JSON · mfpx

12 vertices and 24 edges in the unit cell. 15 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
Pa-3 (No. 205)
Cell lengths
a = 2.4495 Å, b = 2.4495 Å, c = 2.4495 Å
Cell angles
α = 90.00°, β = 90.00°, γ = 90.00°
Atoms in cell
12
Transitivity pqrs
not recorded
Catenated
not recorded
Not recorded: no source we read states whether this net is interpenetrated. The RCSR Systre archive carries no catenation field at all, so a record built from it alone says nothing either way. A blank here is that absence, not the claim that the net is not catenated.

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 2 8 0 0 0 2 9 0 0 0 3 8 1 0 0 3 10 0 0 0 4 9 0 1 0 4 10 0 1 0 5 9 0 0 1 5 10 -1 0 0 6 8 0 0 1 6 10 -1 1 0 7 8 1 0 1 7 9 0 1 1 8 11 0 0 0 8 12 0 0 0 9 11 1 0 0 9 12 0 -1 0 10 11 1 0 1 10 12 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
eecac73512ac22e082dcaa3f363c068c (rcsr)

Vertices

No corroboration of the coordination-sequence mapping is recorded on this record, which was not written by the provenance-tracked ingest. The sequences are shown as the record stores them, unchecked.

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 ——3 15 22 70 61 169
1 3 ——3 15 22 70 61 169
2 3 ——3 15 22 70 61 169
3 3 ——3 15 22 70 61 169
4 3 ——3 15 22 70 61 169
5 3 ——3 15 22 70 61 169
6 3 ——3 15 22 70 61 169
7 3 ——3 15 22 70 61 169
8 6 ——6 12 44 42 122 92
9 6 ——6 12 44 42 122 92
10 6 ——6 12 44 42 122 92
11 6 ——6 12 44 42 122 92

Provenance

Source
not recorded — this record predates the provenance-tracked ingest
Identifier at the source
not recorded
Retrieved
not recorded
Licence
CC BY 4.0 — recorded on this record here, not read from a source. This record came from no tracked source, so there is no external licence statement to verify it against; it is this site's own statement about its own deposit.
Published
yes

Position in the collection

RCSR index
1602 (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
621 The order the ingest processed this net in, simplest first. A different number from the RCSR index above, meaning a different thing.