Information card for entry 4348576

Structure parameters

• Formula: C10 H24 B2 F6 P2
• Calculated formula: C10 H24 B2 F6 P2
• SMILES: [B](F)(F)(F)[P](CC)(CC)CC[P]([B](F)(F)F)(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: 6.636 ± 0.002 Å
• b: 19.987 ± 0.008 Å
• c: 6.566 ± 0.002 Å
• α: 90°
• β: 108.286 ± 0.009°
• γ: 90°
• Cell volume: 826.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0483
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No