Information card for entry 7709661

Structure parameters

• Formula: C28 H59 B2 Cl O4 P3 Rh
• Calculated formula: C28 H59 B2 Cl O4 P3 Rh
• SMILES: C1(C(C)(C)OB(O1)[Rh](B1OC(C(C)(C)O1)(C)C)([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)Cl)(C)C.c1(ccccc1)C
• Title of publication: Ligand properties of boryl ligands in bis-boryl rhodium(iii) complexes: a case study
• Authors of publication: Drescher, Wiebke; Kleeberg, Christian
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 32.6373 ± 0.0002 Å
• b: 9.7784 ± 0.0001 Å
• c: 22.3405 ± 0.0002 Å
• α: 90°
• β: 90.123 ± 0.001°
• γ: 90°
• Cell volume: 7129.74 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0226
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections included in the refinement: 0.0456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No