Information card for entry 2204226

Structure parameters

• Chemical name: Bis[tris(ethylenediamine-κ^2^N,N')nickel(II) bis{naphthalene-2,6-disulfonate) dihydrate
• Formula: C16 H32 N6 Ni O7 S2
• Calculated formula: C16 H32 N6 Ni O7 S2
• SMILES: C1[NH2][Ni]23([NH2]CC[NH2]2)([NH2]C1)[NH2]CC[NH2]3.c1c(ccc2cc(ccc12)S(=O)(=O)[O-])S(=O)(=O)[O-].O
• Title of publication: Tris(ethylenediamine-κ^2^<i>N,N</i>')nickel(II) naphthalene-2,6-disulfonate monohydrate
• Authors of publication: Li-Hua Huo; Shan Gao; Zhen-Zhong Lu; Shi-Xiao Xu; Hui Zhao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: m1205 - m1207
• a: 7.5989 ± 0.0017 Å
• b: 13.185 ± 0.004 Å
• c: 23.38 ± 0.005 Å
• α: 90°
• β: 91.527 ± 0.012°
• γ: 90°
• Cell volume: 2341.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0706
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes