Information card for entry 8103330

Structure parameters

• Formula: C20 H20 N2 Ni O9
• Calculated formula: C20 H20 N2 Ni O9
• Title of publication: Crystal structure of triaqua(4-hydroxyphthalato-kO)(1,10-phenanthroline-k2N,N')]nickel(II) hydrate, Ni(H2O)3(C8H4O5)(C12H8N2) · H2O
• Authors of publication: Bo Xiao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 2
• Pages of publication: 115
• a: 7.5426 ± 0.0002 Å
• b: 13.3693 ± 0.0004 Å
• c: 20.7286 ± 0.0007 Å
• α: 90°
• β: 92.02 ± 0.003°
• γ: 90°
• Cell volume: 2088.96 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No