Information card for entry 1561886

Structure parameters

• Formula: C74 H50 Co2 N10 O16
• Calculated formula: C74 H50 Co2 N10 O16
• SMILES: c1c(c2ccc(cc2)C(=O)[O-])c(C2=[O][Co]34([n]5c(nc(nc5N)c5ccccc5)N)OC(=[O][Co]([n]5c(nc(nc5N)c5ccccc5)N)([O]=C(O3)c3ccccc3c3ccc(cc3)C(=O)[O-])(OC(c3ccccc3c3ccc(cc3)C(=O)[O-])=[O]4)O2)c2ccccc2c2ccc(cc2)C(=O)[O-])ccc1
• Title of publication: Utilization of mixed ligands to construct two new coordination polymers: Syntheses, structures and properties
• Authors of publication: Wang, Yansong; Zhou, Zhimin
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2015
• Journal volume: 228
• Pages of publication: 117 - 123
• a: 11.7078 ± 0.0016 Å
• b: 12.3962 ± 0.0016 Å
• c: 12.9998 ± 0.0018 Å
• α: 67.853 ± 0.002°
• β: 67.94 ± 0.002°
• γ: 79.041 ± 0.002°
• Cell volume: 1617 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No