Information card for entry 2214918

Structure parameters

• Chemical name: Diaqua(cyclohexane-1,2-diamine-κ^2^N,N')(N,N,N',N'- tetramethylethylenediamine-κ^2^N,N')nickel(II) dichloride dihydrate
• Formula: C12 H38 Cl2 N4 Ni O4
• Calculated formula: C12 H38 Cl2 N4 Ni O4
• SMILES: [C@H]12CCCC[C@H]2[NH2][Ni]2([NH2]1)([N](C)(C)CC[N]2(C)C)([OH2])[OH2].[C@@H]12CCCC[C@@H]2[NH2][Ni]2([NH2]1)([N](C)(C)CC[N]2(C)C)([OH2])[OH2].[Cl-].O.[Cl-].O.[Cl-].O.[Cl-].O
• Title of publication: Diaqua(cyclohexane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) dichloride dihydrate
• Authors of publication: Zhang, Yu-Zhen; Chen, Zi-Lu; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2228 - m2228
• a: 14.159 ± 0.001 Å
• b: 9.843 ± 0.001 Å
• c: 15.221 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2121.3 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes