Information card for entry 7041332

Structure parameters

• Formula: C32 H44 Cl2 N2 O6 P2 Pt
• Calculated formula: C32 H44 Cl2 N2 O6 P2 Pt
• SMILES: [C@@]12(C[C@]3(O[C@@](C[C@@](O1)(O3)C)(C)[P]2(c1nccc(c1)C)[Pt](Cl)([P]1([C@@]2(C[C@@]3(O[C@]1(C[C@](C)(O2)O3)C)C)C)c1nccc(c1)C)Cl)C)C
• Title of publication: 2-Pyridyl substituents enhance the activity of palladium-phospha-adamantane catalysts for the methoxycarbonylation of phenylacetylene.
• Authors of publication: Shuttleworth, Timothy A.; Miles-Hobbs, Alexandra M; Pringle, Paul G.; Sparkes, Hazel A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 46
• Journal issue: 1
• Pages of publication: 125 - 137
• a: 8.2419 ± 0.0002 Å
• b: 10.5796 ± 0.0003 Å
• c: 11.4154 ± 0.0003 Å
• α: 117.551 ± 0.0014°
• β: 91.9459 ± 0.0015°
• γ: 100.851 ± 0.0015°
• Cell volume: 858.31 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No