Information card for entry 2014715

Structure parameters

• Chemical name: poly[[aqua(1,10-phenanthroline-κ^2^N,N')zinc(II)]-μ~3~-sulfito-κ^2^O:O':O''- zinc(II)-μ~3~-sulfito-κ^3^O:O:O']
• Formula: C12 H10 N2 O7 S2 Zn2
• Calculated formula: C12 H10 N2 O7 S2 Zn2
• SMILES: [Zn]12([n]3cccc4ccc5ccc[n]2c5c34)([OH2])[O]=S2O[Zn]3([O]=S4O[Zn](O2)[O](S(=O)[O-])[Zn]2(O4)([n]4cccc5ccc6ccc[n]2c6c45)[OH2])[O]1S(=O)O[Zn]12[O]=S(O[Zn]4([O]1S(O3)=O)([n]1cccc3ccc5ccc[n]4c5c13)[OH2])O[Zn]1[O]=S(O2)O[Zn]2([O]1S(=O)[O-])([n]1cccc3ccc4ccc[n]2c4c13)[OH2]
• 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: 8.0271 ± 0.0016 Å
• b: 9.4817 ± 0.0019 Å
• c: 10.286 ± 0.002 Å
• α: 80.98 ± 0.03°
• β: 80.39 ± 0.03°
• γ: 75.55 ± 0.03°
• Cell volume: 742 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0811
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No