Information card for entry 7700307

Structure parameters

• Formula: C39 H30 Bi Cl F6 O6 P2 S2
• Calculated formula: C39 H30 Bi Cl F6 O6 P2 S2
• Title of publication: Hexaphenyl carbodiphosphorane adducts of heavier group 15 element trichlorides: syntheses, properties and reactivities.
• Authors of publication: Münzer, Jörn E; Kneusels, Nis-Julian H; Weinert, Bastian; Neumüller, Bernhard; Kuzu, Istemi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 29
• Pages of publication: 11076 - 11085
• a: 21.6222 ± 0.0007 Å
• b: 11.1249 ± 0.0003 Å
• c: 18.5706 ± 0.0006 Å
• α: 90°
• β: 114.914 ± 0.002°
• γ: 90°
• Cell volume: 4051.4 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• 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: 0.0708
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No