Information card for entry 1512814

Structure parameters

• Formula: C56 H44 Br4 Co2 N8 O8
• Calculated formula: C56 H44 Br4 Co2 N8 O8
• SMILES: Brc1ccc(C(=O)O[Co]2(OC(=O)c3ccc(Br)cc3)[n]3ccn(c3)Cc3ccc(cc3)Cn3c[n]([Co](OC(=O)c4ccc(Br)cc4)(OC(=O)c4ccc(Br)cc4)[n]4cn(cc4)Cc4ccc(cc4)Cn4c[n]2cc4)cc3)cc1
• Title of publication: Ligand-controlled assembly of cobalt(II) metal-organic complexes from different semirigid bis(imidazole) derivatives and aromatic monocarboxylates: Electrochemical behaviors and fluorescent properties
• Authors of publication: Lian-Li Liu; Jing-Jing Huang; Xiu-Li Wang; Guo-Cheng Liu; Song Yang; Hong-Yan Lin
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 394
• Pages of publication: 715 - 722
• a: 10.076 ± 0.002 Å
• b: 12.75 ± 0.003 Å
• c: 13.189 ± 0.003 Å
• α: 64.037 ± 0.003°
• β: 80.602 ± 0.003°
• γ: 68.594 ± 0.003°
• Cell volume: 1418.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1714
• Weighted residual factors for all reflections included in the refinement: 0.1839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No