Information card for entry 2007057

Structure parameters

• Chemical name: Triethylammonium tris(thiobenzoato-O,S)cadmate(II)
• Formula: C27 H31 Cd N O3 S3
• Calculated formula: C27 H31 Cd N O3 S3
• SMILES: [Cd]123(SC(=[O]1)c1ccccc1)(SC(=[O]2)c1ccccc1)SC(=[O]3)c1ccccc1.[NH+](CC)(CC)CC
• Title of publication: Triethylammonium Tris(thiobenzoato-<i>O</i>,<i>S</i>)cadmate(II)
• Authors of publication: Vittal, Jagadese J.; Dean, Philip A. W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 3
• Pages of publication: 319 - 321
• a: 19.6219 ± 0.0004 Å
• b: 15.5067 ± 0.0004 Å
• c: 19.4399 ± 0.0005 Å
• α: 90°
• β: 103.015 ± 0.001°
• γ: 90°
• Cell volume: 5763 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.053
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.07
• Goodness-of-fit parameter for all reflections: 1.025
• Goodness-of-fit parameter for significantly intense reflections: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No