Information card for entry 8104804

Structure parameters

• Formula: C28 H34 Co N8 O8
• Calculated formula: C28 H34 Co N8 O8
• Title of publication: Crystal structure of catena-poly[triaqua-(μ2-1,3-di(1H-imidazol-1-yl)propane-κ2 N:N′)-(4,4′-(1H-1,2,4-triazole-3,5-diyl)dibenzoato-κ1O)cobalt(II)] — N,N′-dimethylformamide (1/1), C28H34N8O8Co
• Authors of publication: Qiu, Ying; Zhao, Juan; Liu, Mei-Ling; Ge, Hong-Guang; Ji, Xiao-Hui; Wang, Qin; Jin, Ling-xia; Lu, Jiu-Fu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 3
• Pages of publication: 697 - 699
• a: 14.8071 ± 0.0017 Å
• b: 19.676 ± 0.002 Å
• c: 10.858 ± 0.0013 Å
• α: 90°
• β: 104.202 ± 0.002°
• γ: 90°
• Cell volume: 3066.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No