Information card for entry 4310721

Structure parameters

• Formula: C14 H27 Cl N4 O9 P2 S Sn
• Calculated formula: C14 H27 Cl N4 O9 P2 S Sn
• Title of publication: The Reaction of Dimethyltin(IV) Dichloride with Thiamine Diphosphate (H2TDP): Synthesis and Structure of [SnMe2(HTDP)(H2O)]Cl.H2O, and Possibility of a Hitherto Unsuspected Role of the Metal Cofactor in the Mechanism of Vitamin-B1-Dependent Enzymes
• Authors of publication: José S. Casas; Eduardo E. Castellano; María D. Couce; Javier Ellena; Agustín Sánchez; José L. Sánchez; José Sordo; Carmen Taboada
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1957 - 1963
• a: 22.2209 ± 0.0004 Å
• b: 8.8241 ± 0.0002 Å
• c: 24.1119 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4727.85 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No