Information card for entry 7007579

Structure parameters

• Formula: C46 H42 Cl2 O2 P2 Pt
• Calculated formula: C46 H42 Cl2 O2 P2 Pt
• SMILES: [Pt]([P]1([C@H](CC(=O)C[C@@H]1c1ccccc1)c1ccccc1)c1ccccc1)([P]1([C@H](CC(=O)C[C@@H]1c1ccccc1)c1ccccc1)c1ccccc1)(Cl)Cl.[Pt]([P]1([C@@H](CC(=O)C[C@H]1c1ccccc1)c1ccccc1)c1ccccc1)([P]1([C@@H](CC(=O)C[C@H]1c1ccccc1)c1ccccc1)c1ccccc1)(Cl)Cl
• Title of publication: Bulky 4-phosphacyclohexanones: diastereoselective complexations, orthometallations and unprecedented [3.1.1]metallabicycles.
• Authors of publication: Doherty, Ruth; Haddow, Mairi F.; Harrison, Zoë A; Orpen, A. Guy; Pringle, Paul G.; Turner, Alex; Wingad, Richard L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 36
• Pages of publication: 4310 - 4320
• a: 10.479 ± 0.003 Å
• b: 14.369 ± 0.004 Å
• c: 14.537 ± 0.004 Å
• α: 116.004 ± 0.004°
• β: 92.782 ± 0.004°
• γ: 95.772 ± 0.004°
• Cell volume: 1946.8 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0572
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No