Information card for entry 2206561

Structure parameters

• Common name: [Ni(en)~2~(H~2~O)~2~](ans)~2~2H~2~O
• Chemical name: Diaquabis(ethylenediamine)nickel(II) bis(4-aminonaphthalene-1-sulfonate) dihydrate
• Formula: C24 H40 N6 Ni O10 S2
• Calculated formula: C24 H40 N6 Ni O10 S2
• SMILES: c1(S(=O)(=O)[O-])c2c(c(cc1)N)cccc2.O.[Ni]12([NH2]CC[NH2]1)([NH2]CC[NH2]2)([OH2])[OH2].c1(ccc(c2ccccc12)N)S(=O)(=O)[O-].O
• Title of publication: Diaquabis(ethylenediamine)nickel(II) bis(4-aminonaphthalene-1-sulfonate) dihydrate
• Authors of publication: Ming-Tian Li; Cheng-Gang Wang; Yu Wu; Xu-Cheng Fu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m1613 - m1615
• a: 12.406 ± 0.002 Å
• b: 9.6396 ± 0.0017 Å
• c: 12.276 ± 0.002 Å
• α: 90°
• β: 90.479 ± 0.003°
• γ: 90°
• Cell volume: 1468 ± 0.4 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0513
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes