Information card for entry 4083212

Structure parameters

• Formula: C10 H10.5 Cl2 N3.5 Pd
• Calculated formula: C10 H10.5 Cl2 N3.5 Pd
• SMILES: [Pd]1(Cl)(Cl)[n]2cccc3ccn(c23)C(=[NH]1)C.N#CC
• 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: 10.135 ± 0.0005 Å
• b: 11.4539 ± 0.0006 Å
• c: 11.9551 ± 0.0007 Å
• α: 71.326 ± 0.004°
• β: 81.32 ± 0.004°
• γ: 65.913 ± 0.004°
• Cell volume: 1199.94 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No