Information card for entry 4085214

Structure parameters

• Common name: Z-9 in manuscript
• Formula: C21 H43 Cl N2 P2 Pd
• Calculated formula: C21 H43 Cl N2 P2 Pd
• SMILES: [Pd]1(Cl)([P](n2c([P+](C1)(C(C)(C)C)C(C)(C)C)ncc2)(C(C)(C)C)C(C)(C)C)C
• Title of publication: 1,2-Bis(di-tert-butylphosphino)imidazole (dtbpi): A Versatile Imidazole-Based, Rigid, Bulky Bisphosphine Ligand for Transition Metals
• Authors of publication: Brill, Marcel; Rominger, Frank; Hofmann, Peter
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 2
• Pages of publication: 506
• a: 11.7845 ± 0.0008 Å
• b: 16.1974 ± 0.0011 Å
• c: 16.3616 ± 0.0011 Å
• α: 104.388 ± 0.001°
• β: 109.857 ± 0.0009°
• γ: 110.288 ± 0.0009°
• Cell volume: 2506.5 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No