Information card for entry 8102729

Structure parameters

• Chemical name: cis-diaqua-bis(1,10-phenanthroline)-zinc(II) bis(3-amino-4-chlorobenzensulphonate) dihydrate, (C~24~H~20~ZnN~4~O~2~)(C~6~H~5~NSO~3~Cl)~2~.2(H~2~O)
• Formula: C36 H34 Cl2 N6 O10 S2 Zn
• Calculated formula: C36 H34 Cl2 N6 O10 S2 Zn
• SMILES: [Zn]12([n]3cccc4c3c3[n]1cccc3cc4)([n]1cccc3c1c1[n]2cccc1cc3)([OH2])[OH2].Nc1c(ccc(S(=O)(=O)[O-])c1)Cl.Nc1cc(S(=O)(=O)[O-])ccc1Cl.O.O
• Title of publication: Crystal structure of cis-diaquabis(1,10-phenanthroline)zinc(II) bis(3-amino-4-chlorobenzensulphonate) dihydrate, [Zn(H2O)2(C12H8N2)2](H2NC6H3ClSO3)2 · 2H2O
• Authors of publication: Min-Le Han; Xun-Li Ling; Jian-Ge Wang; Li-Wei Mi
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 2
• Pages of publication: 410
• a: 10.8271 ± 0.0009 Å
• b: 12.4802 ± 0.0011 Å
• c: 16.4274 ± 0.0014 Å
• α: 75.019 ± 0.001°
• β: 86.335 ± 0.001°
• γ: 68.937 ± 0.001°
• Cell volume: 2000 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No