Information card for entry 4083204

Structure parameters

• Formula: C16 H16 Cl2 N4 Pd Si
• Calculated formula: C16 H16 Cl2 N4 Pd Si
• SMILES: [Pd]1(Cl)(Cl)[n]2cccc3ccn([Si](n4ccc5ccc[n]1c45)(C)C)c23
• 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: 9.4054 ± 0.0005 Å
• b: 16.8216 ± 0.0007 Å
• c: 11.4133 ± 0.0006 Å
• α: 90°
• β: 99.524 ± 0.004°
• γ: 90°
• Cell volume: 1780.85 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0334
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No