Information card for entry 4083216

Structure parameters

• Formula: C58 H42 Cl13 Ga N16 Pd2 Si2
• Calculated formula: C58 H42 Cl13 Ga N16 Pd2 Si2
• SMILES: C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.[Ga](Cl)(Cl)([Cl-])Cl.[Pd]123[n]4c5n(ccc5ccc4)[Si](Cl)(n4ccc5ccc[n]2c45)(n2ccc4ccc[n]3c24)n2ccc3ccc[n]1c23.[Pd]123[n]4c5n(ccc5ccc4)[Si](Cl)(n4ccc5ccc[n]2c45)(n2ccc4ccc[n]3c24)n2ccc3ccc[n]1c23.[Cl-]
• 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: 12.9524 ± 0.0006 Å
• b: 15.5485 ± 0.0008 Å
• c: 17.6641 ± 0.0009 Å
• α: 109.348 ± 0.004°
• β: 92.53 ± 0.004°
• γ: 91.058 ± 0.004°
• Cell volume: 3351.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No