Information card for entry 4326652

Structure parameters

• Formula: C38 H37 Cl2 F3 N4 O6 P2 Pd S
• Calculated formula: C38 H31 Cl2 F3 N4 O6 P2 Pd S
• Title of publication: Flexible Diphosphine Ligands with Overall Charges of 0, +1, and +2: Critical Role of the Electrostatics in Favoring Trans over Cis Coordination
• Authors of publication: Yves Canac; Nathalie Debono; Christine Lepetit; Carine Duhayon; Remi Chauvin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10810 - 10819
• a: 9.342 ± 0.0004 Å
• b: 26.2671 ± 0.0008 Å
• c: 17.422 ± 0.0005 Å
• α: 90°
• β: 93.916 ± 0.005°
• γ: 90°
• Cell volume: 4265.2 ± 0.3 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9586
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No