Information card for entry 4102264

Structure parameters

• Formula: C18 H26 Cl2 N4 O2 Sn
• Calculated formula: C18 H26 Cl2 N4 O2 Sn
• Title of publication: Solid-State 17O NMR and Computational Studies of C-Nitrosoarene Compounds
• Authors of publication: Gang Wu; Jianfeng Zhu; Xin Mo; Ruiyao Wang; Victor Terskikh
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 5143 - 5155
• a: 7.1149 ± 0.0001 Å
• b: 8.7177 ± 0.0002 Å
• c: 9.2105 ± 0.0002 Å
• α: 90.52 ± 0.001°
• β: 109.281 ± 0.001°
• γ: 91.873 ± 0.001°
• Cell volume: 538.836 ± 0.019 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0153
• Residual factor for significantly intense reflections: 0.0151
• Weighted residual factors for significantly intense reflections: 0.0374
• Weighted residual factors for all reflections included in the refinement: 0.0375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No