Information card for entry 4348578

Structure parameters

• Formula: C3 H9 B F3 P
• Calculated formula: C3 H9 B F3 P
• SMILES: [B](F)([P](C)(C)C)(F)F
• 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: 5.838 ± 0.006 Å
• b: 9.17 ± 0.009 Å
• c: 6.675 ± 0.007 Å
• α: 90°
• β: 113.359 ± 0.011°
• γ: 90°
• Cell volume: 328.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1229
• Residual factor for significantly intense reflections: 0.0974
• Weighted residual factors for significantly intense reflections: 0.2255
• Weighted residual factors for all reflections included in the refinement: 0.24
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No