Information card for entry 2014714

Structure parameters

• Chemical name: di-μ-sulfito-κ^3^O,O':O'';κ^3^O:O',O''-bis[(4,4'-dimethyl-2,2'-bipyridine- κ^2^N,N')zinc(II)] dihydrate
• Formula: C24 H28 N4 O8 S2 Zn2
• Calculated formula: C24 H28 N4 O8 S2 Zn2
• SMILES: c1cc(cc2[n]1[Zn]13([n]4c2cc(cc4)C)[O]=S(O[Zn]24([n]5ccc(cc5c5cc(cc[n]25)C)C)[O]=S(O3)O4)O1)C.O.O
• Title of publication: Di-μ-sulfito-bis[(4,4'-dimethyl-2,2'-bipyridine)zinc(II)] dihydrate and poly[[aqua(1,10-phenanthroline)zinc(II)]-μ~3~-sulfito-zinc(II)-μ~3~-sulfito]
• Authors of publication: M. Enriqueta Díaz de Vivar; Sergio Baggio; Muõz, Juan Carlos; Ricardo Baggio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: m30 - m33
• a: 7.534 ± 0.004 Å
• b: 9.621 ± 0.005 Å
• c: 11.051 ± 0.005 Å
• α: 113.233 ± 0.008°
• β: 96.932 ± 0.009°
• γ: 106.746 ± 0.009°
• Cell volume: 679.4 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1765
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No