Information card for entry 7041333

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)([P]2(c1nc(ccc1)C)[Pt]([P]1([C@]2(C[C@@]3(C)O[C@@]1(C[C@@](O2)(O3)C)C)C)c1nc(ccc1)C)(Cl)Cl)C)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: 8.7414 ± 0.0002 Å
• b: 10.2111 ± 0.0003 Å
• c: 11.1847 ± 0.0003 Å
• α: 64.6586 ± 0.0013°
• β: 88.5905 ± 0.0015°
• γ: 77.9537 ± 0.0015°
• Cell volume: 880.03 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0227
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No