Information card for entry 1520408

Structure parameters

• Formula: C13 H13 Cl2 N4 O6 Si
• Calculated formula: C13 H13 Cl2 N4 O6 Si
• SMILES: c1c(ccc2[n]1C[Si]1(C[n]3cc(ccc3=[O]1)N(=O)=O)(C)[O]=2)N(=O)=O.[Cl-].[Cl-]
• Title of publication: C13H13Cl2N4O6Si
• Authors of publication: Taylor, P. G.; Callear, Samantha K.; Stephenson, Richard; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2009
• Pages of publication: 660
• a: 10.2948 ± 0.0003 Å
• b: 12.6066 ± 0.0004 Å
• c: 14.3449 ± 0.0004 Å
• α: 90°
• β: 109.01 ± 0.002°
• γ: 90°
• Cell volume: 1760.18 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No