Information card for entry 7012011

Structure parameters

• Common name: (2-(α-hydroxyethyl)thiamine)(PtCl6).2H2O
• Formula: C14 H26 Cl6 N4 O4 Pt S
• Calculated formula: C14 H16 Cl6 N4 O3.9998 Pt S
• Title of publication: Anion coordination and molecular assembly in C2-substituted thiamine‒anion systems: effects of the anion and molecular conformation
• Authors of publication: Hu, Ning-Hai; Norifusa, Toshio; Aoki, Katsuyuki
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 3
• Pages of publication: 335
• a: 21.022 ± 0.005 Å
• b: 11.702 ± 0.002 Å
• c: 21.519 ± 0.005 Å
• α: 90°
• β: 105.87 ± 0.02°
• γ: 90°
• Cell volume: 5092 ± 2 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No