Information card for entry 4071388

Structure parameters

• Formula: C32 H54 Cl2 O6 P2 Pd
• Calculated formula: C32 H54 Cl2 O6 P2 Pd
• SMILES: [C@]12(C[C@@]3(O[C@](C[C@](O1)(O3)C)(C)[P]2(C1CCCCC1)[Pd](Cl)([P]1([C@]2(C[C@@]3(C)O[C@@]1(C[C@@](O2)(O3)C)C)C)C1CCCCC1)Cl)C)C
• 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: 8.375 ± 0.0019 Å
• b: 9.9901 ± 0.0014 Å
• c: 11.0436 ± 0.0019 Å
• α: 87.13 ± 0.014°
• β: 85.581 ± 0.016°
• γ: 84.121 ± 0.017°
• Cell volume: 915.6 ± 0.3 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: 0.022
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No