Information card for entry 4325129

Structure parameters

• Formula: C46 H39 B Cl2 Mn N O3
• Calculated formula: C46 H39 B Cl2 Mn N O3
• Title of publication: Synthesis and Coordination Chemistry of 1-Cymantrenyl-2,3,4,5-tetraphenylborole
• Authors of publication: Holger Braunschweig; Alexander Damme; Daniela Gamon; Thomas Kupfer; Krzysztof Radacki
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4250 - 4252
• a: 13.1221 ± 0.0006 Å
• b: 15.7684 ± 0.0007 Å
• c: 18.738 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3877.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0313
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No