Information card for entry 7016854

Structure parameters

• Formula: C22 H25 Br2 N3 O Si
• Calculated formula: C22 H25 Br2 N3 O Si
• SMILES: Br[Si]12(Br)([N](C(C)C)=C(c3ccccc3)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: 8.1749 ± 0.0016 Å
• b: 9.919 ± 0.002 Å
• c: 14.424 ± 0.003 Å
• α: 94.61 ± 0.03°
• β: 102.42 ± 0.03°
• γ: 95.8 ± 0.03°
• Cell volume: 1130.1 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0524
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No