Information card for entry 4085213

Structure parameters

• Common name: 7 in manuscript
• Formula: C40 H78 Cl8 N4 P4 Rh2
• Calculated formula: C40 H78 Cl8 N4 P4 Rh2
• SMILES: [Rh]12([Cl][Rh]3([Cl]1)[P](c1n([P]3(C(C)(C)C)C(C)(C)C)ccn1)(C(C)(C)C)C(C)(C)C)[P](c1n([P]2(C(C)(C)C)C(C)(C)C)ccn1)(C(C)(C)C)C(C)(C)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• 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: 28.054 ± 0.018 Å
• b: 11.161 ± 0.007 Å
• c: 35.47 ± 0.02 Å
• α: 90°
• β: 102.007 ± 0.019°
• γ: 90°
• Cell volume: 10863 ± 12 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2376
• Residual factor for significantly intense reflections: 0.1626
• Weighted residual factors for significantly intense reflections: 0.3468
• Weighted residual factors for all reflections included in the refinement: 0.385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No