Information card for entry 4119377

Structure parameters

• Formula: C58 H78 As2 Cl8 Ga2 N6
• Calculated formula: C58 H78 As2 Cl8 Ga2 N6
• SMILES: C1(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=[As][As]=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.N#CC.Cl[Ga](Cl)([Cl-])Cl.N#CC.Cl[Ga](Cl)([Cl-])Cl
• Title of publication: Oxidation of Carbene-Stabilized Diarsenic: Diarsene Dications and Diarsenic Radical Cations
• Authors of publication: Mariham Y. Abraham; Yuzhong Wang; Yaoming Xie; Robert J. Gilliard; Pingrong Wei; Brian J. Vaccaro; Michael K. Johnson; Henry F. Schaefer; Paul v. R. Schleyer; Gregory H. Robinson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 2486 - 2488
• a: 15.2173 ± 0.001 Å
• b: 18.324 ± 0.0012 Å
• c: 13.9424 ± 0.0009 Å
• α: 90°
• β: 115.953 ± 0.001°
• γ: 90°
• Cell volume: 3495.7 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0534
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No