Information card for entry 4307547

Structure parameters

• Formula: C12.5 H18 Cl7 Mo1.5 N2.5 O3
• Calculated formula: C12.5 H18 Cl7 Mo1.5 N2.5 O3
• Title of publication: Structural Characterization of Molybdenum(V) Species in Aqueous HCl Solutions
• Authors of publication: Farideh Jalilehvand; Vicky Mah; Bonnie O. Leung; Daniel Ross; Masood Parvez; Ricardo F. Aroca
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 4430 - 4445
• a: 21.398 ± 0.003 Å
• b: 8.057 ± 0.004 Å
• c: 13.33 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2298.1 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 51
• Hermann-Mauguin space group symbol: P m m a
• Hall space group symbol: -P 2a 2a
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No