Information card for entry 1506324

Structure parameters

• Common name: [Rh(dtbpb)(nbd)]PF6
• Chemical name: [Bis(di-tert-butylphosphino-κ2,P,P)benzene](norbornadiene)rhodium(I) PF6
• Formula: C33 H56 F6 O P3 Rh
• Calculated formula: C33 H56 F6 O P3 Rh
• SMILES: [Rh]1234([P](C(C)(C)C)(c5c([P]1(C(C)(C)C)C(C)(C)C)cccc5)C(C)(C)C)[CH]1=[CH]3C3[CH]4=[CH]2C1C3.[P](F)(F)(F)(F)(F)[F-].C1CCOC1
• Title of publication: Facile synthesis of highly congested 1,2-diphosphinobenzenes from bis(phosphine)boronium salts.
• Authors of publication: Yamamoto, Yoshikazu; Koizumi, Toru; Katagiri, Kosuke; Furuya, Yui; Danjo, Hiroshi; Imamoto, Tsuneo; Yamaguchi, Kentaro
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 26
• Pages of publication: 6103 - 6106
• a: 11.1077 ± 0.0006 Å
• b: 11.1077 ± 0.0006 Å
• c: 24.942 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2665.1 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No