Information card for entry 4074465

Structure parameters

• Formula: C28 H38 Cl N2 O3 P Pd
• Calculated formula: C28 H38 Cl N2 O3 P Pd
• Title of publication: Steric and Electronic Effects on Arylphosphonate Elimination from Organopalladium Complexes
• Authors of publication: Kohler, Mark C.; Stockland, Jr., Robert A.; Rath, Nigam P.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 24
• Pages of publication: 5746 - 5756
• a: 13.4268 ± 0.0004 Å
• b: 11.1315 ± 0.0003 Å
• c: 19.8695 ± 0.0006 Å
• α: 90°
• β: 105.323 ± 0.002°
• γ: 90°
• Cell volume: 2864.14 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No