Information card for entry 4085207

Structure parameters

• Common name: 2 in manuscript
• Formula: C20 H41 B F4 N2 P2
• Calculated formula: C20 H41 B F4 N2 P2
• SMILES: [P+](c1n(P(C(C)(C)C)C(C)(C)C)ccn1)(C)(C(C)(C)C)C(C)(C)C.[B](F)(F)(F)[F-]
• 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: 8.772 ± 0.0009 Å
• b: 21.253 ± 0.002 Å
• c: 13.4777 ± 0.0013 Å
• α: 90°
• β: 90.923 ± 0.003°
• γ: 90°
• Cell volume: 2512.3 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1306
• 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