Information card for entry 4312176

Structure parameters

• Formula: C43 H45 B11 F N P2
• Calculated formula: C43 H45 B11 F N P2
• Title of publication: Preparation of 1-p-Halophenyl and 1-p-Biphenylyl Substituted Monocarbadodecaborate Anions [closo-1-Ar-CB11H11]- by Insertion of Arylhalocarbenes into [nido-B11H14]-
• Authors of publication: Stefanie Körbe; Damian B. Sowers; Andreas Franken; Josef Michl
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 8158 - 8161
• a: 10.721 ± 0.002 Å
• b: 12.646 ± 0.003 Å
• c: 15.917 ± 0.006 Å
• α: 76.45 ± 0.02°
• β: 86.77 ± 0.02°
• γ: 88.17 ± 0.02°
• Cell volume: 2094.2 ± 1 ų
• Cell temperature: 135 ± 2 K
• Ambient diffraction temperature: 135 ± 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: 0.0584
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No