Information card for entry 4086786

Structure parameters

• Formula: C37 H36 Cl3 O2 P Pd
• Calculated formula: C37 H36 Cl3 O2 P Pd
• SMILES: [Pd]12(Cl)([P](c3ccccc3)(c3ccccc3)c3c(cccc3)C(c3ccc(OC)cc3)c3ccc(OC)cc3)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: 12.0788 ± 0.0012 Å
• b: 12.4978 ± 0.0016 Å
• c: 13.3752 ± 0.0015 Å
• α: 69.029 ± 0.007°
• β: 65.152 ± 0.007°
• γ: 74.163 ± 0.009°
• Cell volume: 1692.8 ± 0.4 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No