Information card for entry 4086789

Structure parameters

• Formula: C36 H27 F6 P Pd
• Calculated formula: C36 H27 F6 P Pd
• SMILES: [Pd]123([P](c4ccccc4)(c4ccccc4)c4c(cccc4)C1(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)[CH2]=[CH]2C3
• 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: 10.732 ± 0.002 Å
• b: 11.145 ± 0.002 Å
• c: 14.509 ± 0.003 Å
• α: 102.877 ± 0.003°
• β: 93.952 ± 0.0019°
• γ: 111.326 ± 0.0019°
• Cell volume: 1554.3 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0532
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No