Information card for entry 2200244

Structure parameters

• Chemical name: trans-Chloro(methyl)bis(triphenylphosphine)palladium(II)
• Formula: C37 H33 Cl P2 Pd
• Calculated formula: C37 H33 Cl P2 Pd
• SMILES: [Pd]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)C
• Title of publication: <i>trans</i>-Chloro(methyl)bis(triphenylphosphine)palladium(II)
• Authors of publication: Otto, Stefanus
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: m75 - m77
• a: 11.8068 ± 0.0004 Å
• b: 23.3389 ± 0.0009 Å
• c: 12.365 ± 0.0005 Å
• α: 90°
• β: 111.537 ± 0.001°
• γ: 90°
• Cell volume: 3169.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.121
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 0.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No