Information card for entry 4086785

Structure parameters

• Formula: C34 H30 Cl P Pd
• Calculated formula: C34 H30 Cl P Pd
• SMILES: [Pd]12(Cl)([P](c3ccccc3)(c3ccccc3)c3c(cccc3)C(c3ccccc3)c3ccccc3)C[CH]1=[CH2]2
• Title of publication: Synthesis, Coordination Properties, and Catalytic Application of Triarylmethane-Monophosphines
• Authors of publication: Iwai, Tomohiro; Tanaka, Ryotaro; Sawamura, Masaya
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 23
• Pages of publication: 3959
• a: 9.2823 ± 0.0015 Å
• b: 9.1979 ± 0.0015 Å
• c: 31.679 ± 0.005 Å
• α: 90°
• β: 90.033 ± 0.003°
• γ: 90°
• Cell volume: 2704.7 ± 0.8 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.0621
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No