MOF++

Data › Nets › sho-a

Net topology

sho-a

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

JSON · mfpx

144 vertices and 288 edges in the unit cell. 81 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 = 8.2978 Å, b = 8.2978 Å, c = 8.2978 Å
Cell angles
α = 90.00°, β = 90.00°, γ = 90.00°
Atoms in cell
144
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 1 6 0 0 0 2 3 0 0 0 2 4 0 0 0 2 7 0 0 0 2 8 0 0 0 3 5 0 0 0 3 8 0 0 0 3 9 0 0 0 4 5 0 0 0 4 8 0 0 0 4 10 0 0 0 5 8 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 9 17 0 0 0 9 18 0 0 0 10 19 0 0 0 10 20 0 0 0 11 21 0 0 0 11 22 0 0 0 12 23 0 0 0 12 24 0 0 0 13 24 0 0 0 13 25 0 0 0 14 26 0 0 0 14 27 0 0 0 15 28 0 0 0 15 29 0 0 0 16 30 0 0 0 16 31 0 0 0 17 32 0 0 0 17 33 0 0 0 18 34 0 0 0 18 35 0 0 0 19 36 0 0 0 19 37 0 0 0 20 38 0 0 0 20 39 0 0 0 21 40 0 0 0 21 41 0 0 0 22 42 0 0 0 22 43 0 0 0 23 29 0 0 0 23 35 0 0 0 23 44 0 0 0 23 45 0 0 0 24 46 0 0 0 25 38 0 0 0 25 42 0 0 0 25 47 0 0 0 25 48 0 0 0 26 48 1 0 0 26 49 0 0 0 27 36 0 0 0 27 50 0 0 0 27 51 0 0 0 27 52 0 0 0 28 49 0 0 0 28 53 0 0 0 29 35 0 0 0 29 44 0 0 0 29 54 0 0 0 30 52 0 0 0 30 55 0 0 0 31 55 0 0 0 31 56 0 0 0 32 47 0 1 0 32 57 0 0 0 33 40 0 0 0 33 56 0 0 0 33 58 0 0 0 33 59 0 0 0 34 57 0 0 0 34 60 0 0 0 35 45 0 0 0 35 54 0 0 0 36 51 0 0 0 36 52 0 0 0 36 60 0 0 1 37 45 0 0 1 37 61 0 0 0 38 42 0 0 0 38 47 0 0 0 38 62 0 0 0 39 58 0 -1 0 39 61 0 0 0 40 53 -1 1 1 40 56 0 0 0 40 59 0 0 0 41 44 -1 1 1 41 63 0 0 0 42 48 0 0 0 42 62 0 0 0 43 50 -1 0 0 43 63 0 0 0 44 45 0 0 0 44 54 0 0 0 45 54 0 0 0 46 64 0 0 0 46 65 0 0 0 46 66 0 0 0 46 67 0 0 0 47 48 0 0 0 47 62 0 0 0 48 62 0 0 0 49 67 1 0 0 50 51 0 0 0 50 52 0 0 0 50 60 0 0 1 51 60 0 0 1 51 68 0 0 0 52 60 0 0 1 53 56 1 -1 -1 53 58 1 -1 -1 53 59 1 -1 -1 54 69 0 0 0 55 70 0 0 0 56 58 0 0 0 57 66 0 1 0 58 59 0 0 0 59 71 0 0 0 61 65 0 0 1 62 72 0 0 0 63 64 -1 1 1 64 65 0 0 0 64 66 0 0 0 64 70 0 -1 -1 65 67 0 0 0 65 70 0 -1 -1 66 67 0 0 0 66 70 0 -1 -1 67 70 0 -1 -1 68 69 0 0 1 68 72 1 0 0 69 71 1 -1 -1 71 72 0 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
815f42574e98104399d5760237e4afd1 (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 3 —4.8(2).8(2)3 7 14 19 25 38 59 87 102 109
1 3 —4.8(2).8(2)3 7 14 19 25 38 59 87 102 109
2 3 —4.8(2).8(2)3 7 14 19 25 38 59 87 102 109
3 3 —4.8(2).8(2)3 7 14 19 25 38 59 87 102 109
4 3 —4.8(2).8(2)3 7 14 19 25 38 59 87 102 109
5 3 —4.8(2).8(2)3 7 14 19 25 38 59 87 102 109
6 3 —4.8(2).8(2)3 7 14 19 25 38 59 87 102 109
7 3 —4.8(2).8(2)3 7 14 19 25 38 59 87 102 109
8 3 —4.8(2).8(2)3 7 14 19 25 38 59 87 102 109
9 3 —4.8(2).8(2)3 7 14 19 25 38 59 87 102 109
10 3 —4.8(2).8(2)3 7 14 19 25 38 59 87 102 109
11 3 —4.8(2).8(2)3 7 14 19 25 38 59 87 102 109
12 3 —4.8(2).8(2)3 7 14 19 25 38 59 87 102 109
13 3 —4.8(2).8(2)3 7 14 19 25 38 59 87 102 109
14 3 —4.8(2).8(2)3 7 14 19 25 38 59 87 102 109
15 3 —4.8(2).8(2)3 7 14 19 25 38 59 87 102 109
16 3 —4.8(2).8(2)3 7 14 19 25 38 59 87 102 109
17 3 —4.8(2).8(2)3 7 14 19 25 38 59 87 102 109
18 3 —4.8(2).8(2)3 7 14 19 25 38 59 87 102 109
19 3 —4.8(2).8(2)3 7 14 19 25 38 59 87 102 109
20 3 —4.8(2).8(2)3 7 14 19 25 38 59 87 102 109
21 3 —4.8(2).8(2)3 7 14 19 25 38 59 87 102 109
22 3 —4.8(2).8(2)3 7 14 19 25 38 59 87 102 109
23 3 —4.8(2).8(2)3 7 14 19 25 38 59 87 102 109
24 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 12 23 31 54 69 71 102 133
25 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 12 23 31 54 69 71 102 133
26 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 12 23 31 54 69 71 102 133
27 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 12 23 31 54 69 71 102 133
28 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 12 23 31 54 69 71 102 133
29 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 12 23 31 54 69 71 102 133
30 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 12 23 31 54 69 71 102 133
31 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 12 23 31 54 69 71 102 133
32 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 12 23 31 54 69 71 102 133
33 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 12 23 31 54 69 71 102 133
34 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 12 23 31 54 69 71 102 133
35 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 12 23 31 54 69 71 102 133
36 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 12 23 31 54 69 71 102 133
37 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 12 23 31 54 69 71 102 133
38 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 12 23 31 54 69 71 102 133
39 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 12 23 31 54 69 71 102 133
40 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 12 23 31 54 69 71 102 133
41 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 12 23 31 54 69 71 102 133
42 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 12 23 31 54 69 71 102 133
43 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 12 23 31 54 69 71 102 133
44 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 12 23 31 54 69 71 102 133
45 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 12 23 31 54 69 71 102 133
46 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 12 23 31 54 69 71 102 133
47 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 12 23 31 54 69 71 102 133
48 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
49 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
50 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
51 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
52 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
53 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
54 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
55 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
56 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
57 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
58 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
59 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
60 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
61 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
62 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
63 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
64 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
65 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
66 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
67 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
68 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
69 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
70 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
71 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
72 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
73 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
74 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
75 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
76 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
77 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
78 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
79 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
80 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
81 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
82 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
83 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
84 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
85 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
86 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
87 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
88 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
89 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
90 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
91 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
92 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
93 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
94 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
95 5 —3.3.3.3.4(3).4(3).8.8.8.85 7 13 23 33 55 64 71 101 133
96 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
97 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
98 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
99 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
100 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
101 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
102 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
103 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
104 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
105 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
106 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
107 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
108 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
109 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
110 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
111 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
112 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
113 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
114 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
115 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
116 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
117 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
118 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
119 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
120 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
121 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
122 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
123 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
124 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
125 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
126 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
127 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
128 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
129 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
130 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
131 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
132 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
133 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
134 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
135 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
136 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
137 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
138 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
139 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
140 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
141 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
142 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134
143 3 —6.8(2).8(2)3 8 16 24 32 43 62 89 114 134

Provenance

Source
rcsr+mofplus — reconciled from both, field by field
Identifier at the source
sho-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
1734 (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
2282 The order the ingest processed this net in, simplest first. A different number from the RCSR index above, meaning a different thing.