Information card for entry 8102284

Structure parameters

• Formula: C32 H42 Cd N6 O14 S2
• Calculated formula: C32 H42 Cd N6 O14 S2
• SMILES: [Cd]12([O]=C(O1)CNS(=O)(=O)c1ccc(NC(=O)C)cc1)(OC(=O)CNS(=O)(=O)c1ccc(NC(=O)C)cc1)([OH2])[n]1ccccc1c1[n]2cccc1.OCC.O.O
• Title of publication: Crystal structure of monoaqua-bis(N-p-acetamidobenzenesulfonyl glycinato)(2,2'-bipyridine)cadmium(II) - ethanol - water (1:1:2), [Cd(C10H8N2)(H2O)(C10H11N2O5S)2] · C2H6O · 2H2O
• Authors of publication: Tian-Xi Wang; Ge Song; Hong-Wei You
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 2
• Pages of publication: 160
• a: 11.3106 ± 0.0008 Å
• b: 11.8976 ± 0.0008 Å
• c: 29.058 ± 0.002 Å
• α: 90°
• β: 92.325 ± 0.001°
• γ: 90°
• Cell volume: 3907.1 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0317
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No