Information card for entry 2213889

Structure parameters

• Common name: [Diaquabis(ethylenediamine)zinc(II)] [bis(4-aminonaphthalene-1-sulfonate)] dihydrate
• Chemical name: [Diaquabis(ethylenediamine-κ^2^N,N')zinc(II)] [bis(4-aminonaphthalene-1-sulfonate)] dihydrate
• Formula: C24 H40 N6 O10 S2 Zn
• Calculated formula: C24 H40 N6 O10 S2 Zn
• SMILES: C1[NH2][Zn]2([OH2])([NH2]CC[NH2]2)([NH2]C1)[OH2].c1(S(=O)(=O)[O-])c2c(c(cc1)N)cccc2.O.c1(ccc(c2ccccc12)N)S(=O)(=O)[O-].O
• Title of publication: Diaquabis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')zinc(II) bis(4-aminonaphthalene-1-sulfonate) dihydrate
• Authors of publication: Ming-Tian Li; Xu-Cheng Fu; Xiao-Yan Wang; Cheng-Gang Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1677 - m1677
• a: 12.425 ± 0.003 Å
• b: 9.6851 ± 0.0019 Å
• c: 12.305 ± 0.003 Å
• α: 90°
• β: 90.5 ± 0.03°
• γ: 90°
• Cell volume: 1480.7 ± 0.6 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: 0.0471
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes