Information card for entry 4327172

Structure parameters

• Formula: C24 H18 Cl N2 O2 P S2
• Calculated formula: C24 H18 Cl N2 O2 P S2
• SMILES: Clp1n(c2ccc(OC)cc2)c2c(n1c1ccc(OC)cc1)c1ccsc1c1sccc21
• Title of publication: Group 15 Pnictenium Cations Supported by a Conjugated Bithiophene Backbone
• Authors of publication: Jacquelyn T. Price; Melanie Lui; Nathan D. Jones; Paul J. Ragogna
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 12810 - 12817
• a: 8.8245 ± 0.0018 Å
• b: 10.045 ± 0.002 Å
• c: 13.898 ± 0.003 Å
• α: 80.52 ± 0.03°
• β: 74.17 ± 0.03°
• γ: 67.92 ± 0.03°
• Cell volume: 1095.6 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No