Information card for entry 7014144

Structure parameters

• Formula: C17 H16 Br O P S4
• Calculated formula: C17 H16 Br O P S4
• SMILES: [Br-].[P+](c1sccc1)(c1sccc1)(c1sccc1)c1sccc1.OC
• Title of publication: Unsuccessful/successful attempts to produce penta(heteroaryl)-phosphoranes/-arsoranes R5E (E = P, As; R = 2-furyl, 2-thienyl).
• Authors of publication: Monkowius, Uwe V.; Nogai, Stefan; Schmidbaur, Hubert
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 10
• Pages of publication: 1610 - 1617
• a: 12.0523 ± 0.0001 Å
• b: 13.459 ± 0.0002 Å
• c: 13.5631 ± 0.0001 Å
• α: 90°
• β: 114.324 ± 0.0006°
• γ: 90°
• Cell volume: 2004.8 ± 0.04 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• 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: 0.045
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No