Information card for entry 4086787

Structure parameters

• Formula: C37 H30 Cl3 F6 P Pd
• Calculated formula: C37 H30 Cl3 F6 P Pd
• SMILES: [Pd]12(Cl)([P](c3ccccc3)(c3ccccc3)c3c(cccc3)C(c3ccc(cc3)C(F)(F)F)c3ccc(cc3)C(F)(F)F)C[CH]1=[CH2]2.ClCCl
• 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: 9.527 ± 0.0017 Å
• b: 10.1421 ± 0.0017 Å
• c: 36.282 ± 0.007 Å
• α: 90°
• β: 91.731 ± 0.003°
• γ: 90°
• Cell volume: 3504.1 ± 1.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.0649
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No