Information card for entry 4327173

Structure parameters

• Formula: C24 H18 As Cl N2 O2 S2
• Calculated formula: C24 H18 As Cl N2 O2 S2
• SMILES: [As]1(Cl)N(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: 8.7034 ± 0.0004 Å
• b: 13.3155 ± 0.0006 Å
• c: 19.8063 ± 0.0009 Å
• α: 90°
• β: 104.181 ± 0.002°
• γ: 90°
• Cell volume: 2225.41 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0266
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No