Information card for entry 2214677

Structure parameters

• Chemical name: Diaquabis[N,N-dimethyl-N'-ethylethylenediamine-κ^2^N,N']nickel(II) dichloride
• Formula: C12 H36 Cl2 N4 Ni O2
• Calculated formula: C12 H36 Cl2 N4 Ni O2
• SMILES: CC[NH]1CC[N](C)(C)[Ni]21([OH2])([NH](CC)CC[N]2(C)C)[OH2].[Cl-].[Cl-]
• Title of publication: Diaquabis(<i>N</i>-ethyl-<i>N</i>',<i>N</i>'-dimethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) dichloride
• Authors of publication: Liang, Yu-Ning; Chen, Zi-Lu; Zhang, Yu-Zhen; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2042 - m2042
• a: 7.802 ± 0.001 Å
• b: 12.55 ± 0.001 Å
• c: 9.935 ± 0.001 Å
• α: 90°
• β: 95.75 ± 0.001°
• γ: 90°
• Cell volume: 967.89 ± 0.18 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes