Information card for entry 4337890

Structure parameters

• Formula: C12 H30 B2 P2
• Calculated formula: C12 H30 B2 P2
• SMILES: [PH2](C1CCCCC1)[BH2][PH](C1CCCCC1)[BH3]
• Title of publication: Effect of the Phosphine Steric and Electronic Profile on the Rh-Promoted Dehydrocoupling of Phosphine-Boranes.
• Authors of publication: Hooper, Thomas N.; Huertos, Miguel A.; Jurca, Titel; Pike, Sebastian D.; Weller, Andrew S.; Manners, Ian
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3716
• a: 6.5693 ± 0.0013 Å
• b: 11.154 ± 0.002 Å
• c: 11.224 ± 0.002 Å
• α: 86.73 ± 0.03°
• β: 81.82 ± 0.03°
• γ: 89.08 ± 0.03°
• Cell volume: 812.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No