Information card for entry 2214545

Structure parameters

• Chemical name: Hexaaquazinc(II) D-camphor-10-sulfonate
• Formula: C20 H42 O14 S2 Zn
• Calculated formula: C20 H42 O14 S2 Zn
• SMILES: [Zn]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].S(=O)(=O)([O-])C[C@@]12C(=O)C[C@@H](CC1)C2(C)C.S(=O)(=O)([O-])C[C@@]12C(=O)C[C@@H](CC1)C2(C)C
• Title of publication: Hexaaquazinc(II) <small>D</small>-camphor-10-sulfonate
• Authors of publication: Schepke, Manuela; Edelmann, Frank T.; Blaurock, Steffen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2071 - m2071
• a: 11.7293 ± 0.0014 Å
• b: 7.0854 ± 0.0008 Å
• c: 17.169 ± 0.002 Å
• α: 90°
• β: 93.841 ± 0.01°
• γ: 90°
• Cell volume: 1423.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes