Information card for entry 4348579

Structure parameters

• Formula: C10 H16 B I5 P2
• Calculated formula: C10 H16 B I5 P2
• SMILES: I[B]1(I)[P](C)(C)c2ccccc2[P+]1(C)C.[I-](I)I
• 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: 9.702 ± 0.002 Å
• b: 17.454 ± 0.003 Å
• c: 12.615 ± 0.002 Å
• α: 90°
• β: 97.751 ± 0.004°
• γ: 90°
• Cell volume: 2116.7 ± 0.7 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: 0.0403
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No