Information card for entry 1512815

Structure parameters

• Formula: C28 H20 Co N8 O12
• Calculated formula: C28 H20 Co N8 O12
• SMILES: [Co]12([n]3cn(cc3)Cc3ccc(Cn4c[n]([Co]56([O]=C(O5)c5cc(N(=O)=O)cc(N(=O)=O)c5)[O]=C(O6)c5cc(N(=O)=O)cc(N(=O)=O)c5)cc4)cc3)([O]=C(O1)c1cc(N(=O)=O)cc(N(=O)=O)c1)([n]1cn(cc1)Cc1ccc(Cn3cncc3)cc1)[O]=C(O2)c1cc(N(=O)=O)cc(N(=O)=O)c1
• 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: 22.432 ± 0.004 Å
• b: 6.2562 ± 0.0012 Å
• c: 11.1 ± 0.002 Å
• α: 90°
• β: 99.851 ± 0.003°
• γ: 90°
• Cell volume: 1534.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1806
• Weighted residual factors for all reflections included in the refinement: 0.2012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No