Information card for entry 4101588

Structure parameters

• Common name: GRF001
• Chemical name: GRF001
• Formula: C25 H46 O P2 Pd
• Calculated formula: C25 H46 O P2 Pd
• SMILES: [Pd]12([P](Cc3c2c(ccc3)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)OC
• Title of publication: Hydrogenolysis of Palladium(II) Hydroxide and Methoxide Pincer Complexes
• Authors of publication: Fulmer, Gregory R.; Muller, Richard P.; Kemp, Richard A.; Goldberg, Karen I.
• Journal of publication: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
• Year of publication: 2009
• Journal volume: 131
• Journal issue: 4
• Pages of publication: 1346
• a: 9.9429 ± 0.0001 Å
• b: 14.7868 ± 0.0002 Å
• c: 18.02 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2649.43 ± 0.06 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No