{"name":"cor-e","uri":"https://mofpp.ramabile.casa/net/cor-e","type":"net","published":true,"provenance":{"source":"rcsr+mofplus","source_id":"cor-e","retrieved":"2026-09-09T00:09:46.205946","licence_source":"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.","source_citation":{"source":"RCSR","name":"Reticular Chemistry Structure Resource","cite":"M. O'Keeffe, M. A. Peskov, S. J. Ramsden and O. M. Yaghi, 'The Reticular Chemistry Structure Resource (RCSR) Database of, and Symbols for, Crystal Nets', Acc. Chem. Res. 2008, 41, 1782-1789","doi":"10.1021/ar800124u","url":"https://rcsr.anu.edu.au","copyright":"© 2019 RCSR.net","per_net_reference":null,"per_net_reference_note":"RCSR publishes a primary reference per net, but the Systre archive distributed as RCSRnets-2019-06-01.arc carries an empty 'ref' field in all 2930 records. The citation shown is for the RCSR resource as a whole, not for this net specifically."},"field_sources":{"catenated":"computed:mofpp.periodicity-v1 (mofplus-deposit)","cella":"mofplus","cellalpha":"mofplus","cellb":"mofplus","cellbeta":"mofplus","cellc":"mofplus","cellgamma":"mofplus","cs":"mofplus","edges":"mofplus","natoms":"mofplus","rcsr_index":"rcsr","rcsr_index_provenance":"rcsr","source_id":"rcsr+mofplus","systre_key":"rcsr","systre_key_checksum":"rcsr","vertices":"mofplus","vs":"mofplus","vs_corroboration":"corroborated: 72 of 72 vertex rows agree with mofpp.rings v2 (mofplus-deposit).","licence":"mofpp-project-decision (CONTEXT §6)","topofile":"mofplus","retrieved_utc":"2026-09-09T00:09:46.205946+00:00","name_match":"corroborated-by-systre-key","cs_corroboration":"checked: one walk over the net's own periodic topology per vertex class, matched against the sequences the source supplied (0 class(es) disagreed). The coordination sequences are the source's own, byte for byte. Only the question of which vertex class each one describes was settled here, by walking the periodic net from one atom of each class (services.topology.coordination_sequence) and matching that walk against the sequences the source supplied. No sequence was computed into the record, extended, repaired, or replaced by a walked one; a supplied sequence that matches no class is withheld, not corrected.","spacegroup":"computed:systre-19.6.0 (mofplus-deposit)","spacegroup_number":"computed:systre-19.6.0 (mofplus-deposit)","p":"computed:systre-19.6.0 (mofplus-deposit)","q":"computed:systre-19.6.0 (mofplus-deposit)","catenated_name_heuristic":"No; agrees with the computed value","cs_row_check":"corroborated: 72 of 72 vertex rows agree with mofpp.invariants v2 (mofplus-deposit), compared on the stored length.","vertex_symmetry":"computed:mofpp.site_symmetry-v1 (spglib-2.7.0, mofplus-deposit)","vertex_site_symmetry":"The site symmetry on each vertex row is the point group of the operations of the net's ideal space group that leave that vertex where it is — its Wyckoff position in the net's maximum-symmetry embedding. It is a property of the net, not of any material built on it, and it is what says whether a four-coordinated vertex is tetrahedral (-43m) or square-planar (4/mmm) — a distinction the coordination number cannot make. Computed in R-3c, setting H, by mofpp.site_symmetry v1 with spglib 2.7.0, from the embedding Systre 19.6.0 computed on the mofplus-deposit. spglib determined the same space group from those coordinates independently, which is a check of two different computations against each other rather than a restatement."}},"ordering":{"rcsr_index":349,"rcsr_index_provenance":"derived","rcsr_index_absence":null,"rcsr_index_note":"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":2070,"complexity_basis":{"level":3,"level_name":"cell_contents","fields":{"natoms":72,"edge_count":252},"tie_break":{"symbol":"cor-e"},"key":[3,72,252,"cor-e"],"unkeyed":false}},"spacegroup":"R-3c","spacegroup_number":167,"plane_group":null,"plane_group_number":null,"transitivity":{"p":2,"q":8,"r":null,"s":null},"cell":[3.3044,3.3044,7.8815,90.0,90.0,120.0],"natoms":72,"catenated":false,"catenated_note":"No, computed from the graph of the net itself rather than read off its name: mofpp.periodicity v1 finds a single copy, so it is not interpenetrated 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.","licence":"CC-BY-4.0","coordination_sequences":{"state":"corroborated","note":"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.","provenance":"mofplus","corroboration":"checked: one walk over the net's own periodic topology per vertex class, matched against the sequences the source supplied (0 class(es) disagreed). The coordination sequences are the source's own, byte for byte. Only the question of which vertex class each one describes was settled here, by walking the periodic net from one atom of each class (services.topology.coordination_sequence) and matching that walk against the sequences the source supplied. No sequence was computed into the record, extended, repaired, or replaced by a walked one; a supplied sequence that matches no class is withheld, not corrected.","topology_mismatch":null,"class_mapping":null,"unresolved":null,"vertex_symbols":{"state":"corroborated","note":"The symbols below are the values the source supplied, and they have been checked: the same symbol was recomputed from the graph of the net itself and agrees with every stored string that could be compared. How many rows that was, and which were left out because they are not symbols, is served under computed_check.","superseded":null,"superseded_rows":{},"superseded_decision":null,"corroboration":"Corroborated: 72 of 72 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.","computed_check":{"state":"corroborated","decided":false,"agree":72,"disagree":0,"compared":72,"excluded":0,"disagreements":[],"note":"Corroborated: 72 of 72 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.","tool":"mofpp.rings v2 (mofplus-deposit)","analysed":true},"provenance":"mofplus","stored":72,"shape_checked":72,"truncated":[],"placeholder":[],"incomplete":[],"flagged":{},"absence_reason":"not recorded: no vertex symbol is stored for this vertex."},"site_symmetry":{"recorded":72,"vertices":72,"provenance":"computed:mofpp.site_symmetry-v1 (spglib-2.7.0, mofplus-deposit)","note":"The site symmetry on each vertex row is the point group of the operations of the net's ideal space group that leave that vertex where it is — its Wyckoff position in the net's maximum-symmetry embedding. It is a property of the net, not of any material built on it, and it is what says whether a four-coordinated vertex is tetrahedral (-43m) or square-planar (4/mmm) — a distinction the coordination number cannot make. Computed in R-3c, setting H, by mofpp.site_symmetry v1 with spglib 2.7.0, from the embedding Systre 19.6.0 computed on the mofplus-deposit. spglib determined the same space group from those coordinates independently, which is a check of two different computations against each other rather than a restatement.","absence":null}},"vertex_symbols":{"state":"corroborated","note":"The symbols below are the values the source supplied, and they have been checked: the same symbol was recomputed from the graph of the net itself and agrees with every stored string that could be compared. How many rows that was, and which were left out because they are not symbols, is served under computed_check.","superseded":null,"superseded_rows":{},"superseded_decision":null,"corroboration":"Corroborated: 72 of 72 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.","computed_check":{"state":"corroborated","decided":false,"agree":72,"disagree":0,"compared":72,"excluded":0,"disagreements":[],"note":"Corroborated: 72 of 72 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.","tool":"mofpp.rings v2 (mofplus-deposit)","analysed":true},"provenance":"mofplus","stored":72,"shape_checked":72,"truncated":[],"placeholder":[],"incomplete":[],"flagged":{},"absence_reason":"not recorded: no vertex symbol is stored for this vertex."},"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 1 8 0 0 0 2 3 0 0 0 2 4 0 0 0 2 9 0 0 0 2 10 0 0 0 2 11 0 0 0 2 12 0 0 0 3 6 0 0 0 3 12 0 0 0 3 13 0 0 0 3 14 0 0 0 3 15 0 0 0 4 6 0 0 0 4 12 0 0 0 4 16 0 0 0 4 17 0 0 0 4 18 0 0 0 5 7 0 0 0 5 8 0 0 0 5 9 0 0 1 5 14 1 0 0 5 16 0 1 0 5 19 0 0 0 6 12 0 0 0 6 19 -1 -1 1 6 20 0 0 0 6 21 0 0 0 7 8 0 0 0 7 11 -1 0 1 7 13 0 0 1 7 17 0 1 0 7 22 0 0 0 8 10 0 0 1 8 15 1 0 0 8 18 0 0 0 8 23 0 0 0 9 10 0 0 0 9 11 0 0 0 9 14 1 0 -1 9 16 0 1 -1 9 24 0 0 0 10 11 0 0 0 10 15 1 0 -1 10 20 1 0 -1 10 23 0 0 -1 11 13 1 0 0 11 21 1 1 -1 11 22 1 0 -1 12 22 0 -1 0 12 23 0 0 -1 12 24 -1 -1 1 13 14 0 0 0 13 15 0 0 0 13 17 0 1 -1 13 21 0 1 -1 14 15 0 0 0 14 19 -1 0 0 14 24 -1 0 1 15 18 -1 0 0 15 20 0 0 0 16 17 0 0 0 16 18 0 0 0 16 19 0 -1 0 16 24 0 -1 1 17 18 0 0 0 17 21 0 0 0 17 22 0 -1 0 18 20 1 0 0 18 23 0 0 0 19 20 1 1 -1 19 21 1 1 -1 19 24 0 0 1 20 21 0 0 0 20 23 -1 0 0 21 22 0 -1 0 22 23 0 1 -1 22 24 -1 0 1 23 24 -1 -1 2","checksum":"1c533747d796bd75026401f34d808f2b","provenance":"rcsr","checksum_provenance":"rcsr","absence":null,"note":"The canonical Systre key, copied verbatim from the local RCSR Systre archive of 2019-06-01 — and corroborated here rather than carried on the word of the archive alone. Systre 19.6.0 was run on the MOF+ deposit, the graph of the uploaded topology file and computed the same key, character for character, so two independent statements of the canonical form of this net agree. The computed key is served under topology.symmetry with the graph it was computed from and the version that computed it. The checksum beside this key is still the one the archive carries, copied from the same block and neither computed nor verified here.","computed_absence":null,"computed":{"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 1 8 0 0 0 2 3 0 0 0 2 4 0 0 0 2 9 0 0 0 2 10 0 0 0 2 11 0 0 0 2 12 0 0 0 3 6 0 0 0 3 12 0 0 0 3 13 0 0 0 3 14 0 0 0 3 15 0 0 0 4 6 0 0 0 4 12 0 0 0 4 16 0 0 0 4 17 0 0 0 4 18 0 0 0 5 7 0 0 0 5 8 0 0 0 5 9 0 0 1 5 14 1 0 0 5 16 0 1 0 5 19 0 0 0 6 12 0 0 0 6 19 -1 -1 1 6 20 0 0 0 6 21 0 0 0 7 8 0 0 0 7 11 -1 0 1 7 13 0 0 1 7 17 0 1 0 7 22 0 0 0 8 10 0 0 1 8 15 1 0 0 8 18 0 0 0 8 23 0 0 0 9 10 0 0 0 9 11 0 0 0 9 14 1 0 -1 9 16 0 1 -1 9 24 0 0 0 10 11 0 0 0 10 15 1 0 -1 10 20 1 0 -1 10 23 0 0 -1 11 13 1 0 0 11 21 1 1 -1 11 22 1 0 -1 12 22 0 -1 0 12 23 0 0 -1 12 24 -1 -1 1 13 14 0 0 0 13 15 0 0 0 13 17 0 1 -1 13 21 0 1 -1 14 15 0 0 0 14 19 -1 0 0 14 24 -1 0 1 15 18 -1 0 0 15 20 0 0 0 16 17 0 0 0 16 18 0 0 0 16 19 0 -1 0 16 24 0 -1 1 17 18 0 0 0 17 21 0 0 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