Information card for entry 7021653

Structure parameters

• Formula: C16 H40 B Br P2
• Calculated formula: C16 H40 B Br P2
• SMILES: [Br-].[PH](C(C)(C)C)([BH2][PH+](C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Bis(phosphine)boronium salts. Synthesis, structures and coordination chemistry.
• Authors of publication: Shuttleworth, Timothy A.; Huertos, Miguel A.; Pernik, Indrek; Young, Rowan D.; Weller, Andrew S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 36
• Pages of publication: 12917 - 12925
• a: 10.633 ± 0.0003 Å
• b: 11.8889 ± 0.0003 Å
• c: 17.0844 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2159.72 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.103
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No