Information card for entry 7014143

Structure parameters

• Formula: C14 H12 Cl2 N P S3
• Calculated formula: C14 H12 Cl2 N P S3
• SMILES: [Cl-].Cl[P+](c1sccc1)(c1sccc1)c1sccc1.N#CC
• 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: 22.921 ± 0.0001 Å
• b: 8.874 ± 0.0001 Å
• c: 8.715 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1772.64 ± 0.06 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No