Information card for entry 2221877

Structure parameters

• Chemical name: Bis(2,3-dimethylbutane-2,3-diamine)nickel(II) dinitrate monohydrate
• Formula: C12 H34 N6 Ni O7
• Calculated formula: C12 H34 N6 Ni O7
• SMILES: C1(C)(C)[NH2][Ni]2([NH2]C1(C)C)[NH2]C(C)(C(C)(C)[NH2]2)C.N(=O)(=O)[O-].O.N(=O)(=O)[O-]
• Title of publication: Bis(2,3-dimethylbutane-2,3-diamine)nickel(II) dinitrate monohydrate
• Authors of publication: Li, Shen-Xin; Zou, Li-Ke; Xie, Bin; Wang, Jun; Li, Jian-Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: m477
• a: 21.788 ± 0.003 Å
• b: 7.892 ± 0.003 Å
• c: 13.997 ± 0.004 Å
• α: 90°
• β: 121.26 ± 0.03°
• γ: 90°
• Cell volume: 2057.4 ± 1.2 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0854
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1448
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes