Information card for entry 4085212

Structure parameters

• Common name: 6b in manuscript
• Formula: C20 H41 Cl N2 P2 Pd
• Calculated formula: C20 H41 Cl N2 P2 Pd
• SMILES: [Pd]1(Cl)([P](c2n1ccn2)(C(C)(C)C)C(C)(C)C)[P](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: 14.6888 ± 0.001 Å
• b: 12.6183 ± 0.0008 Å
• c: 15.3563 ± 0.0012 Å
• α: 90°
• β: 118.521 ± 0.0017°
• γ: 90°
• Cell volume: 2500.8 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No