Information card for entry 7109091

Structure parameters

• Formula: C29.5 H35 B9 O P2
• Calculated formula: C29.5 H35 B9 O0.5 P2
• Title of publication: Remarkable cage deboronation and rearrangement of a closo-1,12-dicarbadodecaborane to form a neutral nido-7,9-dicarbaundecaborane
• Authors of publication: Joseph A. Ioppolo; Mohan Bhadbhade; Mark A. Fox; Louis M. Rendina
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 3312
• a: 15.2083 ± 0.0005 Å
• b: 11.603 ± 0.0004 Å
• c: 17.4061 ± 0.0006 Å
• α: 90°
• β: 93.844 ± 0.002°
• γ: 90°
• Cell volume: 3064.6 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No