Information card for entry 7010535

Structure parameters

• Formula: C34 H28 Bi Cl3 O3 P2
• Calculated formula: C34 H28 Bi Cl3 O3 P2
• SMILES: [Bi]1(Cl)(Cl)(Cl)([O]=P(c2c(P(=[O]1)(c1ccccc1)c1ccccc1)cccc2)(c1ccccc1)c1ccccc1)[o]1cccc1
• Title of publication: Synthesis and properties of antimony(III) and bismuth(III) halide complexes of diphosphines and diarsines. Crystal structures of [Bi2I6{o-C6H4(AsMe2)2}2], [Sb2Br6{o-C6H4(PPh2)2}2], [Sb2Cl6{o-C6H4(AsMe2)2}], and [BiCl3{o-C6H4(P(O)Ph2)2}(thf)]
• Authors of publication: Genge, Anthony R. J.; Hill, Nicholas J.; Levason, William; Reid, Gillian
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 7
• Pages of publication: 1007
• a: 12.043 ± 0.002 Å
• b: 19.467 ± 0.002 Å
• c: 14.53 ± 0.002 Å
• α: 90°
• β: 101.8 ± 0.02°
• γ: 90°
• Cell volume: 3334.4 ± 0.8 ų
• Cell temperature: 150.2 K
• Ambient diffraction temperature: 150.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for all reflections: 0.0334
• Weighted residual factors for all reflections included in the refinement: 0.0334
• Goodness-of-fit parameter for all reflections: 1.267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.267
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No