Information card for entry 1520396

Structure parameters

• Formula: C9 H12 Cl2 N2 O3 Si
• Calculated formula: C9 H12 Cl2 N2 O3 Si
• SMILES: Cl[Si]1([O]=c2n(C1)cc(cc2N(=O)=O)C)(CCl)C
• Title of publication: C9H12Cl2N2O3Si
• Authors of publication: Taylor, P. G.; Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2009
• Pages of publication: 662
• a: 10.6695 ± 0.0009 Å
• b: 17.3082 ± 0.0017 Å
• c: 7.7714 ± 0.0006 Å
• α: 90°
• β: 116.56 ± 0.003°
• γ: 90°
• Cell volume: 1283.7 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0982
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No