Information card for entry 4076088

Structure parameters

• Formula: C42 H32 Cl2 P2 Pt
• Calculated formula: C42 H32 Cl2 P2 Pt
• SMILES: [Pt]1(Cl)(Cl)[P](c2c(cccc2)c2c(cccc2)c2c([P]1(c1ccccc1)c1ccccc1)cccc2)(c1ccccc1)c1ccccc1
• Title of publication: Platinum Complexes of Rigid Bidentate Phosphine Ligands in the Hydroformylation of 1-Octene
• Authors of publication: van der Vlugt, Jarl Ivar; van Duren, Ruben; Batema, Guido D.; den Heeten, René; Meetsma, Auke; Fraanje, Jan; Goubitz, Kees; Kamer, Paul C. J.; van Leeuwen, Piet W. N. M.; Vogt, Dieter
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 22
• Pages of publication: 5377
• a: 11.114 ± 0.002 Å
• b: 13.035 ± 0.003 Å
• c: 13.05 ± 0.002 Å
• α: 104.61 ± 0.02°
• β: 95.16 ± 0.01°
• γ: 95.38 ± 0.02°
• Cell volume: 1808.7 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.031
• Goodness-of-fit parameter for all reflections: 1.476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No