Information card for entry 4083205

Structure parameters

• Formula: C22 H18 Cl2 N6 Pd Si
• Calculated formula: C22 H18 Cl2 N6 Pd Si
• SMILES: [Pd]1(Cl)(Cl)[n]2cccc3ccn([Si](n4ccc5ccc[n]1c45)(n1ccc4cccnc14)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: 9.3545 ± 0.0006 Å
• b: 9.5628 ± 0.0004 Å
• c: 25.5303 ± 0.0015 Å
• α: 90°
• β: 93.7 ± 0.005°
• γ: 90°
• Cell volume: 2279.1 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0621
• 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