Information card for entry 4319977

Structure parameters

• Formula: C6 H18 Mo O6
• Calculated formula: C6 Mo O6
• 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: 7.0976 ± 0.0013 Å
• b: 6.6103 ± 0.0012 Å
• c: 12.286 ± 0.002 Å
• α: 90°
• β: 90.068 ± 0.003°
• γ: 90°
• Cell volume: 576.43 ± 0.18 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: 0.0318
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 0.854
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No