Information card for entry 1543246

Structure parameters

• Formula: C32 H30 N4 O2.5 Si
• Calculated formula: C32 H30 N4 O2.5 Si
• SMILES: [Si]123(n4cccc4C=[N]1c1ccccc1[N]2=Cc1n3ccc1)(c1ccc(OC)cc1)c1ccc(OC)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: 14.3173 ± 0.0004 Å
• b: 18.2897 ± 0.0008 Å
• c: 21.3671 ± 0.0007 Å
• α: 90°
• β: 101.839 ± 0.002°
• γ: 90°
• Cell volume: 5476.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0744
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No