pyr-e
Ingested production record from rcsr+mofplus. Per-field provenance in field_sources.
Crystallographic description
- Spacegroup
- not recorded
- Cell lengths
- a = 3.1206 Å, b = 3.1206 Å, c = 3.1206 Å
- Cell angles
- α = 90.00°, β = 90.00°, γ = 90.00°
- Atoms in cell
- 24
- 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
- (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.
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 3 0 0 0 2 4 0 0 0 2 8 0 0 0 2 9 0 0 0 2 10 0 0 0 3 6 0 0 0 3 10 0 0 0 3 11 0 0 0 3 12 0 0 0 4 6 0 0 0 4 10 0 0 0 4 13 0 0 0 4 14 0 0 0 5 7 0 0 0 5 8 1 0 0 5 15 0 0 0 5 16 0 0 0 5 17 0 0 0 6 10 0 0 0 6 16 0 1 0 6 18 0 0 0 7 11 1 0 0 7 14 0 0 1 7 19 0 0 0 7 20 0 0 0 8 9 0 0 0 8 15 -1 0 0 8 17 -1 0 0 8 21 0 0 0 9 12 0 -1 0 9 13 0 0 1 9 22 0 0 0 9 23 0 0 0 10 21 0 1 0 10 24 0 0 0 11 12 0 0 0 11 19 -1 0 0 11 20 -1 0 0 11 24 0 0 1 12 18 0 0 1 12 22 0 1 0 12 23 0 1 0 13 14 0 0 0 13 18 0 -1 0 13 22 0 0 -1 13 23 0 0 -1 14 19 0 0 -1 14 20 0 0 -1 14 24 1 0 0 15 16 0 0 0 15 20 0 -1 0 15 21 1 0 0 15 23 0 0 0 16 17 0 0 0 16 18 0 -1 0 16 21 1 0 0 17 19 0 0 -1 17 21 1 0 0 17 22 1 0 -1 18 22 0 1 -1 18 23 0 1 -1 19 22 1 0 0 19 24 1 0 1 20 23 0 1 0 20 24 1 0 1 21 24 0 -1 0 - Checksum
- 4f81e9bed3747609cbf1af5f141abac5 (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.
| # | Coordination | Site symmetry | Vertex symbol | Coordination sequence |
|---|---|---|---|---|
| 0 | 6 | — | 3.3.3.3.3.4(3).4(3).6.6.6.6.6(2).7(2).7(3).7(4) | 6 17 46 79 127 186 263 333 427 529 |
| 1 | 6 | — | 3.3.3.3.3.4(3).4(3).6.6.6.6.6(2).7(2).7(3).7(4) | 6 17 46 79 127 186 263 333 427 529 |
| 2 | 6 | — | 3.3.3.3.3.4(3).4(3).6.6.6.6.6(2).7(2).7(3).7(4) | 6 17 46 79 127 186 263 333 427 529 |
| 3 | 6 | — | 3.3.3.3.3.4(3).4(3).6.6.6.6.6(2).7(2).7(3).7(4) | 6 17 46 79 127 186 263 333 427 529 |
| 4 | 6 | — | 3.3.3.3.3.4(3).4(3).6.6.6.6.6(2).7(2).7(3).7(4) | 6 17 46 79 127 186 263 333 427 529 |
| 5 | 6 | — | 3.3.3.3.3.4(3).4(3).6.6.6.6.6(2).7(2).7(3).7(4) | 6 17 46 79 127 186 263 333 427 529 |
| 6 | 6 | — | 3.3.3.3.3.4(3).4(3).6.6.6.6.6(2).7(2).7(3).7(4) | 6 17 46 79 127 186 263 333 427 529 |
| 7 | 6 | — | 3.3.3.3.3.4(3).4(3).6.6.6.6.6(2).7(2).7(3).7(4) | 6 17 46 79 127 186 263 333 427 529 |
| 8 | 6 | — | 3.3.3.3.3.4(3).4(3).6.6.6.6.6(2).7(2).7(3).7(4) | 6 17 46 79 127 186 263 333 427 529 |
| 9 | 6 | — | 3.3.3.3.3.4(3).4(3).6.6.6.6.6(2).7(2).7(3).7(4) | 6 17 46 79 127 186 263 333 427 529 |
| 10 | 6 | — | 3.3.3.3.3.4(3).4(3).6.6.6.6.6(2).7(2).7(3).7(4) | 6 17 46 79 127 186 263 333 427 529 |
| 11 | 6 | — | 3.3.3.3.3.4(3).4(3).6.6.6.6.6(2).7(2).7(3).7(4) | 6 17 46 79 127 186 263 333 427 529 |
| 12 | 6 | — | 3.3.3.3.3.4(3).4(3).6.6.6.6.6(2).7(2).7(3).7(4) | 6 17 46 79 127 186 263 333 427 529 |
| 13 | 6 | — | 3.3.3.3.3.4(3).4(3).6.6.6.6.6(2).7(2).7(3).7(4) | 6 17 46 79 127 186 263 333 427 529 |
| 14 | 6 | — | 3.3.3.3.3.4(3).4(3).6.6.6.6.6(2).7(2).7(3).7(4) | 6 17 46 79 127 186 263 333 427 529 |
| 15 | 6 | — | 3.3.3.3.3.4(3).4(3).6.6.6.6.6(2).7(2).7(3).7(4) | 6 17 46 79 127 186 263 333 427 529 |
| 16 | 6 | — | 3.3.3.3.3.4(3).4(3).6.6.6.6.6(2).7(2).7(3).7(4) | 6 17 46 79 127 186 263 333 427 529 |
| 17 | 6 | — | 3.3.3.3.3.4(3).4(3).6.6.6.6.6(2).7(2).7(3).7(4) | 6 17 46 79 127 186 263 333 427 529 |
| 18 | 6 | — | 3.3.3.3.3.4(3).4(3).6.6.6.6.6(2).7(2).7(3).7(4) | 6 17 46 79 127 186 263 333 427 529 |
| 19 | 6 | — | 3.3.3.3.3.4(3).4(3).6.6.6.6.6(2).7(2).7(3).7(4) | 6 17 46 79 127 186 263 333 427 529 |
| 20 | 6 | — | 3.3.3.3.3.4(3).4(3).6.6.6.6.6(2).7(2).7(3).7(4) | 6 17 46 79 127 186 263 333 427 529 |
| 21 | 6 | — | 3.3.3.3.3.4(3).4(3).6.6.6.6.6(2).7(2).7(3).7(4) | 6 17 46 79 127 186 263 333 427 529 |
| 22 | 6 | — | 3.3.3.3.3.4(3).4(3).6.6.6.6.6(2).7(2).7(3).7(4) | 6 17 46 79 127 186 263 333 427 529 |
| 23 | 6 | — | 3.3.3.3.3.4(3).4(3).6.6.6.6.6(2).7(2).7(3).7(4) | 6 17 46 79 127 186 263 333 427 529 |
Provenance
- Source
- rcsr+mofplus — reconciled from both, field by field
- Identifier at the source
- pyr-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
- 1604 (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
- 1350 The order the ingest processed this net in, simplest first. A different number from the RCSR index above, meaning a different thing.