Information card for entry 4318106

Structure parameters

• Formula: C21 H46 B10 Br2 Mo N4
• Calculated formula: C21 H46 B10 Br2 Mo N4
• Title of publication: Unprecedented Cage-Carbon to Cage-Boron NMe3 Transfer in a Monocarbon Molybdenacarborane
• Authors of publication: Shaowu Du; Jason A. Kautz; Thomas D. McGrath; F. Gordon A. Stone
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3202 - 3211
• a: 11.0575 ± 0.0009 Å
• b: 12.3036 ± 0.0011 Å
• c: 14.726 ± 0.002 Å
• α: 93.883 ± 0.009°
• β: 103.008 ± 0.009°
• γ: 114.451 ± 0.007°
• Cell volume: 1747.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections: 1.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No