crs-c
Ingested production record from mofplus. Per-field provenance in field_sources.
Crystallographic description
- Spacegroup
- not recorded
- Cell lengths
- a = 1.4142 Å, b = 1.4142 Å, c = 1.4142 Å
- Cell angles
- α = 90.00°, β = 90.00°, γ = 90.00°
- Atoms in cell
- 4
- Transitivity pqrs
- not recorded
- Catenated
- yes
- Yes, computed from the graph of the net itself rather than read off its name: mofpp.periodicity v1 finds 2 interpenetrating copies 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
- noneNo canonical key is recorded on this record from either source, and this field stays empty because it holds archive text and nothing else. A key was nonetheless computed here: Systre 19.6.0 was run on the MOF+ deposit, the graph of the uploaded topology file and derived one from the graph of the net itself. It is served under topology.symmetry, with the graph it was computed from and the version that computed it, rather than written into this field — a computed key is not the archive text, and serving it here would say the archive states something it does not.
- Checksum
- not recorded
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: 4 of 4 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. Not recorded. A vertex's site symmetry is its Wyckoff position in the net's maximum-symmetry embedding, and it is computed here from the net's own graph rather than read from any source — neither source states one. It is blank on this record because that computation could not be made for it, not because the vertices have no site: the commonest reasons are a 2-periodic net (whose symmetry is a plane group, and the Wyckoff tables used are the 230 space groups), a graph that resolved into more than one connected net or into an interpenetrated array, a net Systre refused or could not finish, and a net whose barycentric placement puts distinct vertices on one point. The run report names which.
| # | Coordination | Site symmetry | Vertex symbol | Coordination sequence |
|---|---|---|---|---|
| 0 | 6 | — | 3.3.3.3.3.3.6.6.6.6.6.6.7(4).7(4).7(4) | 6 18 48 78 126 182 240 330 390 522 |
| 1 | 6 | — | 3.3.3.3.3.3.6.6.6.6.6.6.7(4).7(4).7(4) | 6 18 48 78 126 182 240 330 390 522 |
| 2 | 6 | — | 3.3.3.3.3.3.6.6.6.6.6.6.7(4).7(4).7(4) | 6 18 48 78 126 182 240 330 390 522 |
| 3 | 6 | — | 3.3.3.3.3.3.6.6.6.6.6.6.7(4).7(4).7(4) | 6 18 48 78 126 182 240 330 390 522 |
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, by mofpp.invariants 2, mofpp.periodicity 1, mofpp.rings 2 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)
- no
- Interpenetration (mofplus-deposit)
- 2 copies
- Computed by (mofplus-deposit)
- mofpp.periodicity 1 — ok
Symmetry — the MOF+ deposit, the graph of the uploaded topology file
Systre found one net repeated 2 times in the repeat unit. The group, the kinds and the key below are those of a single copy, not of the array the copies make together, and must not be read as the symmetry of the whole.
- Ideal space group (mofplus-deposit)
- Fd-3m (No. 227) (second origin choice)
- Transitivity p, q (mofplus-deposit)
- 1, 1 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)
- 1
- RCSR identification (mofplus-deposit)
- crs
- Computed Systre key (mofplus-deposit)
3 1 2 0 0 0 1 2 0 0 1 1 3 0 0 0 1 3 0 1 0 1 4 0 0 0 1 4 1 0 0 2 3 0 0 -1 2 3 0 1 0 2 4 0 0 -1 2 4 1 0 0 3 4 0 0 0 3 4 1 -1 0- Key against the archive (mofplus-deposit)
- not compared This record carries no archive key, so the computed key has nothing to be compared with. This is not a disagreement, and for a net the archive does not list it is the expected state.
- TD10 as Systre prints it (mofplus-deposit)
- 1941
- 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)
- 1941.0
- Genus (mofplus-deposit)
- not determinedgenus is defined for one connected 3-periodic net; this one is not (periodicity 3, connected False, 2 interpenetrating copies)
- Shells walked (mofplus-deposit)
- 10
- Computed by (invariants, mofplus-deposit)
- mofpp.invariants 2 — ok
Rings — the MOF+ deposit, the graph of the uploaded topology file
- Net point symbol (mofplus-deposit)
- (3^6.6^6.7^3)
- Longest ring searched (mofplus-deposit)
- 40 Some angle of this net has no ring within that bound. Those angles are written * rather than given a ring that was never found.
- Computed by (rings, mofplus-deposit)
- mofpp.rings 2 — ok
| Vertices | Cycle symbol (MOF+ convention) | RCSR ring symbol | Point symbol | Coordination sequence |
|---|---|---|---|---|
| 0, 1, 2, 3 | 3.3.3.3.3.3.6.6.6.6.6.6.7(4).7(4).7(4) 3 angles have no ring of at most 40 edges | 3.3.3.3.3.3.6.6.6.6.6.6.*.*.* | 3^6.6^6.7^3 | 6 18 48 78 126 182 240 330 390 522 |
Cross-checks
- Name against the computed key
- single-source
- Stored symbols against the computed ones
- corroborated: 4 of 4 vertex rows agree with mofpp.rings v2 (mofplus-deposit).
- Stored sequences against the computed ones
- corroborated: 4 of 4 vertex rows agree with mofpp.invariants v2 (mofplus-deposit), compared on the stored length.
- Catenation against the name heuristic
- Yes; agrees with the computed value
- Systre built-in identification
- Systre identifies this net as the RCSR net crs (computed:systre-19.6.0 (mofplus-deposit)); this record is named crs-c.
Provenance
- Source
- mofplus
- Identifier at the source
- crs-c
- 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
- none No RCSR index: the name crs-c is not one of the 2930 symbols in the RCSR Systre archive of 2019-06-01, so this net has no position in that ordering and is listed after every net that does.
- Complexity rank
- 79 The order the ingest processed this net in, simplest first. A different number from the RCSR index above, meaning a different thing.