Information card for entry 4348577

Structure parameters

• Formula: C25 H22 B3 F9 O2 P2
• Calculated formula: C25 H22 B3 F9 O2 P2
• SMILES: C1[P+](O[B]([O]=P1(c1ccccc1)c1ccccc1)(F)F)(c1ccccc1)c1ccccc1.F[B](F)(F)[F][B](F)(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: 10.446 ± 0.004 Å
• b: 10.871 ± 0.004 Å
• c: 12.47 ± 0.005 Å
• α: 71.531 ± 0.013°
• β: 86.113 ± 0.014°
• γ: 85.936 ± 0.015°
• Cell volume: 1338.2 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1488
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.1983
• Weighted residual factors for all reflections included in the refinement: 0.2387
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No