{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,26]],"date-time":"2026-01-26T00:46:12Z","timestamp":1769388372197,"version":"3.49.0"},"reference-count":35,"publisher":"International Union of Crystallography (IUCr)","issue":"11","license":[{"start":{"date-parts":[[2021,10,26]],"date-time":"2021-10-26T00:00:00Z","timestamp":1635206400000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"},{"start":{"date-parts":[[2021,10,26]],"date-time":"2021-10-26T00:00:00Z","timestamp":1635206400000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"}],"funder":[{"name":"Center of Science and Technology, Uzbekistan","award":["BA\u2013FA\u2013F7\u2013004"],"award-info":[{"award-number":["BA\u2013FA\u2013F7\u2013004"]}]}],"content-domain":{"domain":["iucr.org","wiley.com","iucrj.org"],"crossmark-restriction":true},"short-container-title":["Acta Crystallogr E Cryst Commun","Acta Cryst E","Acta Cryst Sect E","Acta Crystallogr E","Acta Crystallogr Sect E","Acta Cryst E Cryst Commun","Acta Cryst Sect E Cryst Commun"],"accepted":{"date-parts":[[2021,10,20]]},"published-print":{"date-parts":[[2021,11,1]]},"abstract":"<jats:p>The title compound, [Cu<jats:sub>2<\/jats:sub>(C<jats:sub>7<\/jats:sub>H<jats:sub>4<\/jats:sub>NO<jats:sub>4<\/jats:sub>)<jats:sub>4<\/jats:sub>(C<jats:sub>3<\/jats:sub>H<jats:sub>7<\/jats:sub>NO)<jats:sub>2<\/jats:sub>]\u00b7(C<jats:sub>3<\/jats:sub>H<jats:sub>7<\/jats:sub>NO)<jats:sub>2<\/jats:sub>, is a binuclear copper(II) complex located on an inversion center midway between the two copper(II) cations. The asymmetric unit consists of one Cu<jats:sup>II<\/jats:sup> cation, two 3-nitrobenzoato ligands, and two dimethylformamide (DMF) molecules, one of which coordinates to the Cu<jats:sup>II<\/jats:sup> cation and one is a solvate molecule. The carboxylate groups of the ligands bridge two Cu<jats:sup>II<\/jats:sup> cations with a Cu\u2014Cu distance of 2.6554\u2005(6)\u2005\u00c5, completing a distorted octahedral O<jats:sub>5<\/jats:sub>Cu coordination environment. The dihedral angles between the carboxylate and the aromatic ring planes of the two independent ligands are different from one another, <jats:italic>viz<\/jats:italic>. 5.2\u2005(3) and 23.9\u2005(3)\u00b0. The three-dimensional structure is consolidated by weak C\u2014H...O interactions and stabilized by \u03c0\u2013\u03c0 stacking interactions between the aromatic rings. The complex and the free ligand were further characterized by Fourier-transform infrared spectroscopy (FT\u2013IR), and the energies of the frontier molecular orbitals of the complex were determined by DFT calculations at the B3LYP\/def2-TZVP level of theory.<\/jats:p>","DOI":"10.1107\/s2056989021010999","type":"journal-article","created":{"date-parts":[[2021,10,26]],"date-time":"2021-10-26T07:55:49Z","timestamp":1635234949000},"page":"1164-1169","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":3,"title":["Crystal structure, Hirshfeld surface analysis and DFT studies of tetrakis(\u03bc-3-nitrobenzoato-\u03ba<sup>2<\/sup>\n                  <i>O<\/i>\n                  <sup>1<\/sup>:<i>O<\/i>\n                  <sup>1\u2032<\/sup>)bis[(<i>N<\/i>,<i>N<\/i>-dimethylformamide-\u03ba<i>O<\/i>)copper(II)] dimethylformamide disolvate"],"prefix":"10.1107","volume":"77","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-9496-1210","authenticated-orcid":true,"given":"Mavlonbek A.","family":"Ziyaev","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4441-2803","authenticated-orcid":true,"given":"Jamshid M.","family":"Ashurov","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Alisher G.","family":"Eshimbetov","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Bakhtiyar T.","family":"Ibragimov","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"329","published-online":{"date-parts":[[2021,10,26]]},"reference":[{"key":"wm5619_bb1","doi-asserted-by":"crossref","first-page":"3098","DOI":"10.1103\/PhysRevA.38.3098","volume":"38","author":"Becke","year":"1988","journal-title":"Phys. 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