Information card for entry 4083209

Structure parameters

• Formula: C22 H18 N6 Si
• Calculated formula: C22 H18 N6 Si
• SMILES: [Si](n1ccc2cccnc12)(n1ccc2cccnc12)(n1ccc2cccnc12)C
• Title of publication: 7-Azaindol-1-yl(organo)silanes and Their PdCl2Complexes: Pd-Capped Tetrahedral Silicon Coordination Spheres and Paddlewheels with a Pd‒Si Axis
• Authors of publication: Wahlicht, Sven; Brendler, Erica; Heine, Thomas; Zhechkov, Lyuben; Wagler, Jörg
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 10
• Pages of publication: 2479
• a: 12.4286 ± 0.0006 Å
• b: 16.9865 ± 0.0011 Å
• c: 18.9875 ± 0.0009 Å
• α: 90°
• β: 101.579 ± 0.004°
• γ: 90°
• Cell volume: 3927 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No