Information card for entry 4000455

Structure parameters

• Chemical name: Molibdenum(iii) bromide
• Formula: Br3 Mo
• Calculated formula: Br3 Mo
• SMILES: [Mo+3].[Br-].[Br-].[Br-]
• Journal of publication: Chemistry of Materials
• Year of publication: 2004
• a: 6.6046 ± 0.0009 Å
• b: 11.4419 ± 0.0017 Å
• c: 6.0772 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 459.25 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• Space group number: 59
• Hermann-Mauguin space group symbol: P n m m :2
• Hall space group symbol: -P 2c 2bc
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No