Information card for entry 8105399

Structure parameters

• Formula: C40 H24 N4 Ni O9
• Calculated formula: C40 H24 N4 Ni O9
• Title of publication: Crystal structure of [(bis(1,10-phenanthroline-κ2 N,N′)-(2-carboxy-4-(3-carboxy-5-carboxylatophenoxy)benzoato-κ2O:O′))nickel(II) monohydrate, (1,10-phenanthroline-κ2 N:N′)-(μ2-(5-(3′,4′-dicarboxylphenoxy)-isophthalate-κ2O:O′))nickel(II)], C40H24N4O9Ni ⋅ H2O
• Authors of publication: Yao, Li-Ping
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 5
• Pages of publication: 1133 - 1134
• a: 11.5851 ± 0.0008 Å
• b: 11.5875 ± 0.0007 Å
• c: 13.3921 ± 0.0008 Å
• α: 81.44 ± 0.005°
• β: 77.913 ± 0.006°
• γ: 76.014 ± 0.006°
• Cell volume: 1696.65 ± 0.19 ų
• Cell temperature: 289.07 ± 0.1 K
• Ambient diffraction temperature: 289.07 ± 0.1 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: 0.0676
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No