Information card for entry 1512816

Structure parameters

• Formula: C40 H34 Br2 Co N4 O4
• Calculated formula: C40 H34 Br2 Co N4 O4
• SMILES: [Co]12([n]3cn(c4c3cc(C)c(C)c4)Cc3ccc(Cn4c[n]([Co]56([O]=C(O5)c5ccc(Br)cc5)[O]=C(O6)c5ccc(Br)cc5)c5c4cc(C)c(C)c5)cc3)([O]=C(O1)c1ccc(Br)cc1)([n]1cn(c3c1cc(C)c(C)c3)Cc1ccc(Cn3cnc4c3cc(C)c(C)c4)cc1)[O]=C(O2)c1ccc(Br)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: 25.0246 ± 0.0015 Å
• b: 6.2508 ± 0.0004 Å
• c: 22.7773 ± 0.0013 Å
• α: 90°
• β: 95.951 ± 0.002°
• γ: 90°
• Cell volume: 3543.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No