Information card for entry 7007575

Structure parameters

• Formula: C30 H41 Cl O2 P2 Pt
• Calculated formula: C30 H41 Cl O2 P2 Pt
• SMILES: [Pt]1([P]2(C(CC(=O)CC2(C)C)(C)C)c2ccccc2)([P]2(C(C1C(=O)CC2(C)C)(C)C)c1ccccc1)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: 14.309 ± 0.003 Å
• b: 14.435 ± 0.003 Å
• c: 15.693 ± 0.003 Å
• α: 90°
• β: 113.99 ± 0.03°
• γ: 90°
• Cell volume: 2961.4 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No