{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,5]],"date-time":"2026-04-05T12:18:06Z","timestamp":1775391486475,"version":"3.50.1"},"reference-count":0,"publisher":"International Union of Crystallography (IUCr)","issue":"1","license":[{"start":{"date-parts":[[2003,1,28]],"date-time":"2003-01-28T00:00:00Z","timestamp":1043712000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/journals.iucr.org\/services\/copyrightpolicy.html"},{"start":{"date-parts":[[2003,1,28]],"date-time":"2003-01-28T00:00:00Z","timestamp":1043712000000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/journals.iucr.org\/services\/copyrightpolicy.html#TDM"}],"content-domain":{"domain":["iucr.org","wiley.com","iucrj.org"],"crossmark-restriction":true},"short-container-title":["Acta Crystallogr B Struct Sci","Acta Cryst B","Acta Cryst Sect B","Acta Crystallogr B","Acta Crystallogr Sect B","Acta Crystallogr Sect B Struct Sci"],"accepted":{"date-parts":[[2002,10,21]]},"published-print":{"date-parts":[[2003,2,1]]},"abstract":"<jats:p>Results of the accurate crystal structure determination of NO<jats:sub>2<\/jats:sub>Cbl\u00b72LiCl (1), NO<jats:sub>2<\/jats:sub>Cbl\u00b7NaCl (2), NCSCbl (3) and NCSeCbl (4), based on synchrotron diffraction data collected at 100\u2005K, are described. The nitro group in (1) was found to be disordered with two orientations that differ by a rotation of \u223c60\u00b0 about the Co\u2014NO<jats:sub>2<\/jats:sub> bond, whereas in (2) the nitro group has only one orientation. The first X-ray structural determination of a cobalamin with a Co\u2014Se bond is reported. Comparison of the axial distances indicates that SeCN has a bond length of 2.384\u2005(3)\u2005\u00c5 and that the <jats:italic>trans<\/jats:italic> influence on the Co\u2014N bond is only slightly greater than that of SCN. The crystals of the thiocyanate cobalamin contain both the S- and N-bonded coordination isomers in a 3:2 ratio. The structural features of the Co\u2014S bond in cobalamins are discussed. The crystal chemistry of cobalamins is discussed in terms of packing of roughly spherical molecules. The unit-cell parameters can be used to group the cobalamins' crystal structures in different arrays intermediate between distorted hexagonal close packing and primitive hexagonal arrangements. The structural features of cobalamins, and of cobaloximes that have the same axial fragment as the cobalamins, are reviewed and discussed in terms of the <jats:italic>cis<\/jats:italic> influence of the equatorial ligand.<\/jats:p>","DOI":"10.1107\/s0108768102019353","type":"journal-article","created":{"date-parts":[[2003,1,29]],"date-time":"2003-01-29T13:27:28Z","timestamp":1043846848000},"page":"51-59","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":36,"title":["Crystal chemistry and binding of NO<sub>2<\/sub>, SCN and SeCN to Co in cobalamins"],"prefix":"10.1107","volume":"59","author":[{"given":"Gianpiero","family":"Garau","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Silvano","family":"Geremia","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Luigi G.","family":"Marzilli","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Giorgio","family":"Nardin","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Lucio","family":"Randaccio","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Giovanni","family":"Tauzher","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"329","published-online":{"date-parts":[[2003,1,28]]},"container-title":["Acta Crystallographica Section B Structural Science"],"original-title":[],"link":[{"URL":"http:\/\/journals.iucr.org\/b\/issues\/2003\/01\/00\/na0139\/na0139.pdf","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/journals.iucr.org\/b\/issues\/2003\/01\/00\/na0139\/na0139.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,1,11]],"date-time":"2025-01-11T12:37:58Z","timestamp":1736599078000},"score":1,"resource":{"primary":{"URL":"https:\/\/journals.iucr.org\/paper?S0108768102019353"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2003,1,28]]},"references-count":0,"journal-issue":{"issue":"1","published-print":{"date-parts":[[2003,2]]}},"alternative-id":["S0108768102019353"],"URL":"https:\/\/doi.org\/10.1107\/s0108768102019353","relation":{"is-supplemented-by":[{"id-type":"doi","id":"10.1107\/S0108768102019353\/na0139sup1.cif","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S0108768102019353\/na0139NO2Cbl2LiClsup2.hkl","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S0108768102019353\/na0139NO2CblNaClsup3.hkl","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S0108768102019353\/na0139SCNCblsup4.hkl","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S0108768102019353\/na0139SeCNCblsup5.hkl","asserted-by":"subject"}]},"ISSN":["0108-7681"],"issn-type":[{"value":"0108-7681","type":"print"}],"subject":[],"published":{"date-parts":[[2003,1,28]]},"assertion":[{"value":"Acta Crystallographica Section B: Structural Science","order":0,"name":"journal","label":"Publication","explanation":{"URL":"http:\/\/journals.iucr.org\/b"},"group":{"name":"general","label":"General"}},{"value":"research papers","order":1,"name":"content_type","label":"Content type","explanation":{"URL":"https:\/\/journals.iucr.org\/b\/services\/notesforauthors.html"},"group":{"name":"general","label":"General"}},{"value":"Available","URL":"http:\/\/scripts.iucr.org\/cgi-bin\/citedin?na0139","order":2,"name":"article_metrics","label":"Article metrics","group":{"name":"general","label":"General"}},{"value":"Yes","order":0,"name":"peer_reviewed","label":"Peer reviewed","group":{"name":"peer_review","label":"Peer review"}},{"value":"Single blind","order":1,"name":"review_process","label":"Review process","group":{"name":"peer_review","label":"Peer review"}},{"value":"3 July 2002","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication history"}},{"value":"21 October 2002","order":1,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication history"}},{"value":"28 January 2003","order":2,"name":"published_online","label":"Published online","group":{"name":"publication_history","label":"Publication history"}},{"value":"This article has supporting information","name":"supplementary_materials","label":"Supplementary materials","explanation":{"URL":"http:\/\/scripts.iucr.org\/cgi-bin\/sendsup?na0139"}},{"value":"\u00a9 2003 International Union of Crystallography","order":0,"name":"copyright","label":"Copyright","explanation":{"URL":"http:\/\/journals.iucr.org\/services\/copyrightpolicy.html"},"group":{"name":"copyright_and_licensing","label":"Copyright and licencing"}}]}}