Information card for entry 8106089

Structure parameters

• Formula: C40 H48 N8 Ni2 O14
• Calculated formula: C40 H48 N8 Ni2 O14
• Title of publication: Crystal structure of catena-poly[triaqua-(isophthalato-κO)-(μ2-1,6-di(1H-imidazol-1-yl)hexane-κ2 N:N′)]nickel(II), C20H28N4NiO7
• Authors of publication: Song, Wei; Li, Shi-Hui; Xu, Xue-Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 2
• Pages of publication: 173 - 175
• a: 8.6404 ± 0.0005 Å
• b: 21.0392 ± 0.0012 Å
• c: 12.258 ± 0.0006 Å
• α: 90°
• β: 96.839 ± 0.005°
• γ: 90°
• Cell volume: 2212.5 ± 0.2 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: 0.0577
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No