Information card for entry 4071385

Structure parameters

• Formula: C60 H114 Cl2 O6 P2 Pt
• Calculated formula: C60 H114 Cl2 O6 P2 Pt
• SMILES: [Pt]([P]1([C@@]2(O[C@]3(O[C@@](O[C@]1(C)C3)(C)C2)C)C)CCCCCCCCCCCCCCCCCCCC)([P]1([C@]2(O[C@@]3(O[C@](O[C@@]1(C)C3)(C)C2)C)C)CCCCCCCCCCCCCCCCCCCC)(Cl)Cl
• Title of publication: General Routes to Alkyl Phosphatrioxaadamantane Ligands
• Authors of publication: Downing, Joanne H.; Floure, Joëlle; Heslop, Katie; Haddow, Mairi F.; Hopewell, Jonathan; Lusi, Matteo; Phetmung, Hirahataya; Orpen, A. Guy; Pringle, Paul G.; Pugh, Robert I.; Zambrano-Williams, Damaris
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 13
• Pages of publication: 3216
• a: 14.959 ± 0.003 Å
• b: 16.978 ± 0.003 Å
• c: 26.764 ± 0.005 Å
• α: 85.08 ± 0.03°
• β: 84.42 ± 0.03°
• γ: 76.65 ± 0.03°
• Cell volume: 6568 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.2006
• Residual factor for significantly intense reflections: 0.1024
• Weighted residual factors for significantly intense reflections: 0.2064
• Weighted residual factors for all reflections included in the refinement: 0.2447
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No