Information card for entry 2201712

Structure parameters

• Chemical name: Hexaaquanickel dinitrate bis(hexamethylenetetramine) tetrahydrate
• Formula: C12 H44 N10 Ni O16
• Calculated formula: C12 H44 N10 Ni O16
• SMILES: C1N2CN3CN1CN(C2)C3.O=N(=O)[O-].[Ni]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O.C1N2CN3CN1CN(C2)C3.N(=O)(=O)[O-].O.O
• Title of publication: Hexaaquanickel(II) dinitrate bis(hexamethylenetetramine) tetrahydrate
• Authors of publication: Hu, Mao-Lin; Ye, Ming-De; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 9
• Pages of publication: m486 - m487
• a: 9.087 ± 0.002 Å
• b: 9.343 ± 0.002 Å
• c: 9.682 ± 0.002 Å
• α: 87.761 ± 0.003°
• β: 75.719 ± 0.002°
• γ: 61.275 ± 0.002°
• Cell volume: 695.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.062
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes