Information card for entry 4089234

Structure parameters

• Formula: C35 H48 B O2 P2 Rh
• Calculated formula: C35 H48 B O2 P2 Rh
• SMILES: [B]12(c3ccccc3)c3c(cccc3)[P](C(C)C)(C(C)C)[Rh]32([O]=C(C)C=C(C)O3)[P](c2c1cccc2)(C(C)C)C(C)C
• Title of publication: Boryl/Borane Interconversion and Diversity of Binding Modes of Oxygenous Ligands in PBP Pincer Complexes of Rhodium
• Authors of publication: Shih, Wei-Chun; Gu, Weixing; MacInnis, Morgan C.; Herbert, David E.; Ozerov, Oleg V.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 9
• Pages of publication: 1718
• a: 10.051 ± 0.003 Å
• b: 10.678 ± 0.003 Å
• c: 17.74 ± 0.004 Å
• α: 99.998 ± 0.002°
• β: 98.477 ± 0.002°
• γ: 115.691 ± 0.002°
• Cell volume: 1635.6 ± 0.8 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0253
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No