Information card for entry 7110912

Structure parameters

• Formula: C72 H50 Cl8 O7 P2 Pt
• Calculated formula: C72 H50 Cl8 O7 P2 Pt
• SMILES: [Pt]1([P]2(Oc3c4ccccc4c4ccccc4c3c3c(O2)c2ccccc2c2ccccc32)CC[P]21Oc1c3ccccc3c3ccccc3c1c1c(O2)c2ccccc2c2ccccc12)(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.o1cccc1.o1cccc1.o1cccc1
• Title of publication: Biarylphosphonites: a class of monodentate phosphorus(iii) ligands that outperform their chelating analogues in asymmetric hydrogenation catalysis
• Authors of publication: Gillon, Amy; Heslop, Katie; Hyett, David J.; Martorell, Aina; Orpen, A. Guy; Pringle, Paul G.; Claver, Carmen; Fernandez, Elena
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 11
• Pages of publication: 961
• a: 14.8155 ± 0.0016 Å
• b: 19.132 ± 0.003 Å
• c: 23.69 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6714.9 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No