Information card for entry 4348581

Structure parameters

• Formula: C10 H24 B2 Br6 P2
• Calculated formula: C10 H24 B2 Br6 P2
• SMILES: C(C)[P]([B](Br)(Br)Br)(CC)CC[P]([B](Br)(Br)Br)(CC)CC
• Title of publication: Systematics of BX3 and BX2(+) Complexes (X = F, Cl, Br, I) with Neutral Diphosphine and Diarsine Ligands.
• Authors of publication: Burt, Jennifer; Emsley, James W.; Levason, William; Reid, Gillian; Tinkler, Iain S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 17
• Pages of publication: 8852 - 8864
• a: 11.412 ± 0.007 Å
• b: 7.255 ± 0.004 Å
• c: 14.002 ± 0.009 Å
• α: 90°
• β: 112.219 ± 0.007°
• γ: 90°
• Cell volume: 1073.2 ± 1.1 ų
• Cell temperature: 446 ± 2 K
• Ambient diffraction temperature: 446 ± 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: 0.0301
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0557
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No