Information card for entry 8107239

Structure parameters

• Formula: C44 H43 Co2 N11 O12
• Calculated formula: C44 H43 Co2 N11 O12
• Title of publication: Crystal structure of poly[μ2-aqua-aqua-(μ2-1,3-di(1H-imidazol-1-yl)propane-κ2 N:N′)-(μ2-4,4′-(1H-1,2,4-triazole-3,5-diyl)dibenzoato-κ2 O:O′)-(μ4-4,4′-(1H-1,2,4-triazole-3,5-diyl)dibenzoato-κ5 O,O′:O″:O′″:O′″)dicobalt(II)] – water – dimethylformamide (1/1/1) C44H43N11O12Co2
• Authors of publication: Wang, Qin; Gao, Jia-Hao; Zhang, Sheng-Rui; Gao, Yan-Hong; Lu, Jiu-Fu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 5
• Pages of publication: 869 - 872
• a: 10.7333 ± 0.0011 Å
• b: 13.6796 ± 0.0011 Å
• c: 16.751 ± 0.002 Å
• α: 113.982 ± 0.002°
• β: 90.578 ± 0.002°
• γ: 105.731 ± 0.001°
• Cell volume: 2142.7 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0815
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No