Information card for entry 7011446

Structure parameters

• Formula: C18.5 H44 B10 Cl I Mo N5 O0.5
• Calculated formula: C18.5 H43 B10 Cl I Mo N5 O0.5
• Title of publication: Amine‒nitrile coupling in amino-monocarbollide complexes of molybdenum
• Authors of publication: Shaowu Du; Jason A. Kautz; Thomas D. McGrath; F. Gordon A. Stone
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 8
• Pages of publication: 1553 - 1558
• a: 9.9624 ± 0.001 Å
• b: 19.5906 ± 0.0017 Å
• c: 34.329 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6700 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No