Information card for entry 4060052

Structure parameters

• Formula: C37.5 H53 Cl3 N O2 P2 Re
• Calculated formula: C37.5 H53 Cl2.99 N O2 P2 Re
• Title of publication: Rhenium-Containing Phosphorus Donor Ligands for Palladium-Catalyzed Suzuki Cross-Coupling Reactions: A New Strategy for High-Activity Systems
• Authors of publication: Sandra Eichenseher; Olivier Delacroix; Klemenz Kromm; Frank Hampel; J. A. Gladysz
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Pages of publication: 245 - 255
• a: 14.2299 ± 0.0001 Å
• b: 15.8221 ± 0.0002 Å
• c: 17.9834 ± 0.0002 Å
• α: 69.791 ± 0.001°
• β: 89.882 ± 0.001°
• γ: 87.044 ± 0.001°
• Cell volume: 3794.06 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0577
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No