Information card for entry 2237346

Structure parameters

• Chemical name: Di-μ-chlorido-bis{[2-(di-<i>tert</i>-butylphosphanyl)biphenyl-3-yl- κ^2^<i>C</i>^3^,<i>P</i>]palladium(II)} dichloromethane disolvate
• Formula: C42 H56 Cl6 P2 Pd2
• Calculated formula: C42 H56 Cl6 P2 Pd2
• SMILES: c12c(cccc1c1ccccc1)[Pd]1([P]2(C(C)(C)C)C(C)(C)C)[Cl][Pd]2(c3c(c(ccc3)c3ccccc3)[P]2(C(C)(C)C)C(C)(C)C)[Cl]1.C(Cl)Cl.C(Cl)Cl
• Title of publication: Di-μ-chlorido-bis{[2-(di-<i>tert</i>-butylphosphanyl)biphenyl-3-yl-κ^2^<i>C</i>^3^,<i>P</i>]palladium(II)} dichloromethane disolvate
• Authors of publication: Holzapfel, Cedric W.; Omondi, Bernard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: m86
• a: 9.4741 ± 0.0015 Å
• b: 10.1805 ± 0.0015 Å
• c: 12.0677 ± 0.0018 Å
• α: 103.25 ± 0.004°
• β: 95.443 ± 0.003°
• γ: 97.08 ± 0.003°
• Cell volume: 1115.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0589
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes