Information card for entry 2204182

Structure parameters

• Chemical name: Hexaaquanickel(II) bis(p-nitrobenzoate) dihydrate
• Formula: C14 H24 N2 Ni O16
• Calculated formula: C14 H24 N2 Ni O16
• SMILES: C(=O)(c1ccc(cc1)N(=O)=O)[O-].[OH2][Ni]([OH2])([OH2])([OH2])([OH2])[OH2].O.C(=O)(c1ccc(cc1)N(=O)=O)[O-].O
• Title of publication: Hexaaquanickel(II) bis(<i>p</i>-nitrobenzoate) dihydrate
• Authors of publication: Qu, Yang; Liu, Zhao-Di; Zhu, Hai-Liang; Tan, Min-Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: m1306 - m1307
• a: 29.03 ± 0.006 Å
• b: 7.055 ± 0.0014 Å
• c: 11.916 ± 0.002 Å
• α: 90°
• β: 112.85 ± 0.03°
• γ: 90°
• Cell volume: 2249 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.156
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes