Information card for entry 4319978

Structure parameters

• Formula: C6 H18 O6 W
• Calculated formula: C6 O6 W
• Title of publication: Electrochemical Synthesis, X-ray Single Crystal, IR Spectroscopic, and Quantum Chemical Investigation of Molybdenum and Tungsten Hexamethoxides
• Authors of publication: Gulaim A. Seisenbaeva; Lars Kloo; Pia Werndrup; Vadim G. Kessler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 3815 - 3818
• a: 7.1164 ± 0.0019 Å
• b: 6.6414 ± 0.0018 Å
• c: 12.304 ± 0.003 Å
• α: 90°
• β: 90.047 ± 0.005°
• γ: 90°
• Cell volume: 581.5 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 0.836
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No