Information card for entry 7007581

Structure parameters

• Formula: C46 H54 Cl2 O2 P2 Pt
• Calculated formula: C46 H54 Cl2 O2 P2 Pt
• SMILES: [C@@H]1(CC(=O)C[C@@H]([P]1([Pt](Cl)([P]1([C@@H](CC(=O)C[C@H]1c1ccccc1)c1ccccc1)C1CCCCC1)Cl)C1CCCCC1)c1ccccc1)c1ccccc1
• 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: 17.938 ± 0.004 Å
• b: 13.963 ± 0.003 Å
• c: 16.316 ± 0.003 Å
• α: 90°
• β: 95.08 ± 0.03°
• γ: 90°
• Cell volume: 4070.6 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No