Information card for entry 2202706

Structure parameters

• Formula: C12 H44 Cl2 N8 Ni O10
• Calculated formula: C12 H44 Cl2 N8 Ni O10
• SMILES: C1N2CN3CN1CN(C2)C3.[OH2][Ni]([OH2])([OH2])([OH2])([OH2])[OH2].O.O.[Cl-].C1N2CN3CN1CN(C2)C3.O.O.[Cl-]
• Title of publication: Hexaaquanickel(II) dichloride bis(hexamethylenetetramine) tetrahydrate
• Authors of publication: Zhu, Hai-Liang; You, Zhong-Lu; Qu, Yang; Liu, Wei-Sheng; Tan, Min-Yu; Ma, Ji-Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: m924 - m925
• a: 9.33 ± 0.006 Å
• b: 9.411 ± 0.006 Å
• c: 9.446 ± 0.006 Å
• α: 119.551 ± 0.007°
• β: 94.192 ± 0.008°
• γ: 100.99 ± 0.008°
• Cell volume: 694.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes