Information card for entry 8104558

Structure parameters

• Formula: C28 H34 N8 Ni O8
• Calculated formula: C28 H34 N8 Ni O8
• Title of publication: Crystal structure of catena-poly[triaqua-(μ 2-1,3-di(1H-imidazol-1-yl)propane-κ 2 N:N′)-(4,4′-(1H-1,2,4-triazole-3,5-diyl)dibenzoato-κ 1 O)nickel(II)]N,N′-dimethylformamide (1/1), C28H35N8O8Ni
• Authors of publication: Xi, Fei; Gao, Yan-Hong; Tang, Bo; Ge, Hong-Guang; Wang, Qin; Lu, Jiu-Fu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 6
• Pages of publication: 1171 - 1173
• a: 14.7476 ± 0.0015 Å
• b: 19.6335 ± 0.0019 Å
• c: 10.8116 ± 0.0011 Å
• α: 90°
• β: 104.334 ± 0.002°
• γ: 90°
• Cell volume: 3033 ± 0.5 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: 0.1098
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No