Information card for entry 7016853

Structure parameters

• Formula: C22 H25 Cl2 N3 O Si
• Calculated formula: C22 H25 Cl2 N3 O Si
• SMILES: C1(c2ccccc2)=[N](C(C)C)[Si]2(Cl)(Cl)(N1C(C)C)[n]1cccc3cccc(c13)O2
• Title of publication: Novel neutral hexacoordinate benzamidinatosilicon(iv) complexes with SiN(3)OF(2), SiN(3)OCl(2), SiN(3)OBr(2), SiN(5)O and SiN(3)O(3) skeletons.
• Authors of publication: Junold, Konstantin; Burschka, Christian; Bertermann, Rüdiger; Tacke, Reinhold
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 38
• Pages of publication: 9844 - 9857
• a: 15.6475 ± 0.0014 Å
• b: 9.7128 ± 0.0008 Å
• c: 15.3985 ± 0.0016 Å
• α: 90°
• β: 107.087 ± 0.011°
• γ: 90°
• Cell volume: 2237 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.053
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1029
• 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: No
• Has Fobs: No