Information card for entry 4348580

Structure parameters

• Formula: C10 H16 B2 Br6 P2
• Calculated formula: C10 H16 B2 Br6 P2
• SMILES: [B]1([P](c2c(cccc2)[P]1(C)C)(C)C)(Br)Br.[B](Br)(Br)(Br)[Br-]
• 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: 14.745 ± 0.004 Å
• b: 10.796 ± 0.003 Å
• c: 13.068 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2080.3 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No