Information card for entry 4110355

Structure parameters

• Formula: C24 H46 N4 P2 Pd
• Calculated formula: C24 H46 N4 P2 Pd
• SMILES: [Pd]([P](c1n(ccn1)C)(C(C)(C)C)C(C)(C)C)[P](c1n(ccn1)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Changes in Coordination of Sterically Demanding Hybrid Imidazolylphosphine Ligands on Pd(0) and Pd(II)
• Authors of publication: Douglas B. Grotjahn; Yi Gong; Lev Zakharov; James A. Golen; Arnold L. Rheingold
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 438 - 453
• a: 15.9009 ± 0.0011 Å
• b: 11.4188 ± 0.0008 Å
• c: 16.5897 ± 0.0011 Å
• α: 90°
• β: 110.4 ± 0.001°
• γ: 90°
• Cell volume: 2823.3 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• 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: 0.0317
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No