Information card for entry 7106680

Structure parameters

• Formula: C47 H39 Cl5 O2 P2 Pt
• Calculated formula: C46 H38 Cl2 O2 P2 Pt
• SMILES: O(c1c(c2c([P]3(CC3)[Pt](Cl)([P]3(CC3)c3ccc4ccccc4c3c3c4ccccc4ccc3OC)Cl)ccc3c2cccc3)c2ccccc2cc1)C
• Title of publication: Taming functionality: easy-to-handle chiral phosphiranes
• Authors of publication: Arne Ficks; Ivan Martinez-Botella; Beverly Stewart; Ross W. Harrington; William Clegg; Lee J. Higham
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 8274
• a: 19.9049 ± 0.0008 Å
• b: 8.3739 ± 0.0002 Å
• c: 14.7846 ± 0.0006 Å
• α: 90°
• β: 122.417 ± 0.005°
• γ: 90°
• Cell volume: 2080.3 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No