Information card for entry 2212587

Structure parameters

• Chemical name: Trans-Diaqua-Bis(N,N'-dimethylethylenediamine) nickel(II)naphthalene-2,6-disulfonate
• Formula: C18 H34 N4 Ni O8 S2
• Calculated formula: C18 H34 N4 Ni O8 S2
• SMILES: C[NH]1[Ni]2([OH2])([NH](C)CC[NH]2C)([NH](C)CC1)[OH2].c1(cc2c(cc1)cc(cc2)S(=O)(=O)[O-])S(=O)(=O)[O-]
• Title of publication: <i>trans</i>-Diaquabis(<i>N</i>,<i>N</i>'-dimethylethylenediamine)nickel(II) naphthalene-2,6-disulfonate
• Authors of publication: Zhao-Xun Lian; Hao-Hong Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m734 - m736
• a: 8.3975 ± 0.0005 Å
• b: 13.4757 ± 0.0008 Å
• c: 11.418 ± 0.0007 Å
• α: 90°
• β: 108.246 ± 0.001°
• γ: 90°
• Cell volume: 1227.12 ± 0.13 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes