Information card for entry 7016858

Structure parameters

• Formula: C24 H25 N5 O S2 Si
• Calculated formula: C24 H25 N5 O S2 Si
• SMILES: C1(c2ccccc2)=[N](C(C)C)[Si]2(N1C(C)C)([n]1cccc3cccc(c13)O2)(N=C=S)N=C=S
• 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: 11.5619 ± 0.0018 Å
• b: 13.4356 ± 0.0018 Å
• c: 16.906 ± 0.003 Å
• α: 90°
• β: 109.346 ± 0.018°
• γ: 90°
• Cell volume: 2477.9 ± 0.7 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: 0.0657
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No