MOF++

Data › Nets › xba-a

Net topology

xba-a

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

JSON · mfpx

64 vertices and 116 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 = 5.9832 Å, b = 5.9832 Å, c = 5.9832 Å
Cell angles
α = 90.00°, β = 90.00°, γ = 90.00°
Atoms in cell
64
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 3 0 0 0 2 4 0 0 0 2 6 0 0 0 3 4 0 0 0 3 7 0 0 0 4 8 0 0 0 5 9 0 0 0 5 10 0 0 0 5 11 0 0 0 6 12 0 0 0 6 13 0 0 0 7 14 0 0 0 7 15 0 0 0 8 16 0 0 0 8 17 0 0 0 9 18 0 0 0 9 19 0 0 0 9 20 0 0 0 10 19 0 0 0 10 21 0 0 0 10 22 0 0 0 11 20 0 0 0 11 21 0 0 0 11 23 0 0 0 12 24 0 0 0 12 25 0 0 0 13 24 0 0 0 13 26 0 0 0 14 27 0 0 0 14 28 0 0 0 15 28 0 0 0 15 29 0 0 0 16 30 0 0 0 16 31 0 0 0 17 31 0 0 0 17 32 0 0 0 18 29 1 0 0 18 32 1 0 0 18 33 0 0 0 19 34 0 0 0 19 35 0 0 0 20 35 0 0 0 20 36 0 0 0 21 35 0 0 0 21 37 0 0 0 22 26 0 1 0 22 30 0 1 0 22 38 0 0 0 23 25 0 0 1 23 27 0 0 1 23 39 0 0 0 24 40 0 0 0 25 27 0 0 0 25 39 0 0 -1 26 30 0 0 0 26 38 0 -1 0 27 39 0 0 -1 28 41 0 0 0 29 32 0 0 0 29 33 -1 0 0 30 38 0 -1 0 31 42 0 0 0 32 33 -1 0 0 33 43 0 0 0 34 42 1 1 0 34 44 0 0 0 34 45 0 0 0 35 46 0 0 0 36 41 1 0 1 36 47 0 0 0 36 48 0 0 0 37 40 0 1 1 37 49 0 0 0 37 50 0 0 0 38 51 0 0 0 39 52 0 0 0 40 49 0 -1 -1 40 50 0 -1 -1 41 47 -1 0 -1 41 48 -1 0 -1 42 44 -1 -1 0 42 45 -1 -1 0 43 53 0 0 0 43 54 0 0 0 44 45 0 0 0 44 55 0 0 0 45 54 0 1 0 46 56 0 0 0 46 57 0 0 0 46 58 0 0 0 47 48 0 0 0 47 59 0 0 0 48 53 0 0 1 49 50 0 0 0 49 60 0 0 0 50 61 0 0 0 51 55 -1 0 0 51 61 0 0 -1 52 59 -1 0 0 52 60 0 -1 0 53 62 0 0 0 54 62 0 0 0 55 63 0 0 0 56 57 0 0 0 56 58 0 0 0 56 64 0 0 0 57 58 0 0 0 57 63 0 0 1 58 62 0 1 1 59 64 0 -1 0 60 64 -1 0 0 61 63 -1 0 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
50a811eddff71f1797acf10c2daaa4d6 (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 —4.4.4.16(8).16(8).16(8)4 9 16 25 39 57 75 93 102 108
1 4 —4.4.4.16(8).16(8).16(8)4 9 16 25 39 57 75 93 102 108
2 4 —4.4.4.16(8).16(8).16(8)4 9 16 25 39 57 75 93 102 108
3 4 —4.4.4.16(8).16(8).16(8)4 9 16 25 39 57 75 93 102 108
4 4 —4.4.4.16(8).16(8).16(8)4 9 16 25 39 57 75 93 102 108
5 4 —4.4.4.16(8).16(8).16(8)4 9 16 25 39 57 75 93 102 108
6 4 —4.4.4.16(8).16(8).16(8)4 9 16 25 39 57 75 93 102 108
7 4 —4.4.4.16(8).16(8).16(8)4 9 16 25 39 57 75 93 102 108
8 4 —3.3.3.16(8).16(8).16(8)4 6 12 22 28 45 66 84 111 139
9 4 —3.3.3.16(8).16(8).16(8)4 6 12 22 28 45 66 84 111 139
10 4 —3.3.3.16(8).16(8).16(8)4 6 12 22 28 45 66 84 111 139
11 4 —3.3.3.16(8).16(8).16(8)4 6 12 22 28 45 66 84 111 139
12 4 —3.3.3.16(8).16(8).16(8)4 6 12 22 28 45 66 84 111 139
13 4 —3.3.3.16(8).16(8).16(8)4 6 12 22 28 45 66 84 111 139
14 4 —3.3.3.16(8).16(8).16(8)4 6 12 22 28 45 66 84 111 139
15 4 —3.3.3.16(8).16(8).16(8)4 6 12 22 28 45 66 84 111 139
16 3 —4.8.83 6 10 14 21 36 59 82 106 137
17 3 —4.8.83 6 10 14 21 36 59 82 106 137
18 3 —4.8.83 6 10 14 21 36 59 82 106 137
19 3 —4.8.83 6 10 14 21 36 59 82 106 137
20 3 —4.8.83 6 10 14 21 36 59 82 106 137
21 3 —4.8.83 6 10 14 21 36 59 82 106 137
22 3 —4.8.83 6 10 14 21 36 59 82 106 137
23 3 —4.8.83 6 10 14 21 36 59 82 106 137
24 3 —4.8.83 6 10 14 21 36 59 82 106 137
25 3 —4.8.83 6 10 14 21 36 59 82 106 137
26 3 —4.8.83 6 10 14 21 36 59 82 106 137
27 3 —4.8.83 6 10 14 21 36 59 82 106 137
28 3 —4.8.83 6 10 14 21 36 59 82 106 137
29 3 —4.8.83 6 10 14 21 36 59 82 106 137
30 3 —4.8.83 6 10 14 21 36 59 82 106 137
31 3 —4.8.83 6 10 14 21 36 59 82 106 137
32 3 —4.8.83 6 10 14 21 36 59 82 106 137
33 3 —4.8.83 6 10 14 21 36 59 82 106 137
34 3 —4.8.83 6 10 14 21 36 59 82 106 137
35 3 —4.8.83 6 10 14 21 36 59 82 106 137
36 3 —4.8.83 6 10 14 21 36 59 82 106 137
37 3 —4.8.83 6 10 14 21 36 59 82 106 137
38 3 —4.8.83 6 10 14 21 36 59 82 106 137
39 3 —4.8.83 6 10 14 21 36 59 82 106 137
40 4 —3.3.3.8.8.9(2)4 5 10 17 24 38 54 87 109 144
41 4 —3.3.3.8.8.9(2)4 5 10 17 24 38 54 87 109 144
42 4 —3.3.3.8.8.9(2)4 5 10 17 24 38 54 87 109 144
43 4 —3.3.3.8.8.9(2)4 5 10 17 24 38 54 87 109 144
44 4 —3.3.3.8.8.9(2)4 5 10 17 24 38 54 87 109 144
45 4 —3.3.3.8.8.9(2)4 5 10 17 24 38 54 87 109 144
46 4 —3.3.3.8.8.9(2)4 5 10 17 24 38 54 87 109 144
47 4 —3.3.3.8.8.9(2)4 5 10 17 24 38 54 87 109 144
48 4 —3.3.3.8.8.9(2)4 5 10 17 24 38 54 87 109 144
49 4 —3.3.3.8.8.9(2)4 5 10 17 24 38 54 87 109 144
50 4 —3.3.3.8.8.9(2)4 5 10 17 24 38 54 87 109 144
51 4 —3.3.3.8.8.9(2)4 5 10 17 24 38 54 87 109 144
52 4 —3.3.3.8.8.9(2)4 5 10 17 24 38 54 87 109 144
53 4 —3.3.3.8.8.9(2)4 5 10 17 24 38 54 87 109 144
54 4 —3.3.3.8.8.9(2)4 5 10 17 24 38 54 87 109 144
55 4 —3.3.3.8.8.9(2)4 5 10 17 24 38 54 87 109 144
56 4 —3.3.3.8.8.9(2)4 5 10 17 24 38 54 87 109 144
57 4 —3.3.3.8.8.9(2)4 5 10 17 24 38 54 87 109 144
58 4 —3.3.3.8.8.9(2)4 5 10 17 24 38 54 87 109 144
59 4 —3.3.3.8.8.9(2)4 5 10 17 24 38 54 87 109 144
60 4 —3.3.3.8.8.9(2)4 5 10 17 24 38 54 87 109 144
61 4 —3.3.3.8.8.9(2)4 5 10 17 24 38 54 87 109 144
62 4 —3.3.3.8.8.9(2)4 5 10 17 24 38 54 87 109 144
63 4 —3.3.3.8.8.9(2)4 5 10 17 24 38 54 87 109 144

Provenance

Source
rcsr+mofplus — reconciled from both, field by field
Identifier at the source
xba-a
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
2710 (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
1984 The order the ingest processed this net in, simplest first. A different number from the RCSR index above, meaning a different thing.