Information card for entry 4072605

Structure parameters

• Chemical name: Pyrrole-2-N-(o-oxyphenyl)-carbaldiminato-methylphenylsilane
• Formula: C18 H16 N2 O Si
• Calculated formula: C18 H16 N2 O Si
• SMILES: [Si]12(Oc3c([N]2=Cc2n1ccc2)cccc3)(c1ccccc1)C
• Title of publication: Dianion of Pyrrole-2-N-(o-hydroxyphenyl)carbaldimine as an Interesting Tridentate (ONN) Ligand System in Hypercoordinate Silicon Complexes
• Authors of publication: Gerlach, Daniela; Brendler, Erica; Heine, Thomas; Wagler, Jörg
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 1
• Pages of publication: 234
• a: 9.3085 ± 0.0003 Å
• b: 16.5473 ± 0.0007 Å
• c: 20.5981 ± 0.0009 Å
• α: 90°
• β: 99.077 ± 0.001°
• γ: 90°
• Cell volume: 3133 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0637
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No