Information card for entry 4076835

Structure parameters

• Formula: C10 H21 B10 Mo N O5
• Calculated formula: C10 H21 B10 Mo N O5
• Title of publication: Molybdenum Complexes of an Eight-Electron-Donor Monocarbollide Ligand, Geometrically Constrained by Intramolecular Five-Membered-Ring Formation
• Authors of publication: Kautz, Jason A.; Kissounko, Denis A.; Kissounko, Natalia S.; Stone, F. Gordon A.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 12
• Pages of publication: 2547
• a: 13.3159 ± 0.0007 Å
• b: 9.842 ± 0.0012 Å
• c: 15.0004 ± 0.0016 Å
• α: 90°
• β: 92.1 ± 0.006°
• γ: 90°
• Cell volume: 1964.6 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No