Information card for entry 1543247

Structure parameters

• Formula: C34 H35 N5 O Si
• Calculated formula: C34 H35 N5 O Si
• SMILES: [Si]123(n4cccc4C=[N]2c2ccccc2[N]3=Cc2n1ccc2)(c1ccccc1)c1ccc(N(C)C)cc1.O1CCCC1
• Title of publication: Hexacoordinate Silicon Compounds with a Dianionic Tetradentate (N,N′,N′,N)-Chelating Ligand
• Authors of publication: Gerlach, Daniela; Brendler, Erica; Wagler, Jörg
• Journal of publication: Inorganics
• Year of publication: 2016
• Journal volume: 4
• Journal issue: 2
• Pages of publication: 8
• a: 14.5651 ± 0.0007 Å
• b: 22.872 ± 0.0008 Å
• c: 10.4529 ± 0.0005 Å
• α: 90°
• β: 124.37 ± 0.003°
• γ: 90°
• Cell volume: 2874.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0831
• 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: Yes
• Has Fobs: No