Information card for entry 7709657

Structure parameters

• Formula: C63 H64 B3 F24 O4 P4 Rh
• Calculated formula: C63 H64 B3 F24 O4 P4 Rh
• SMILES: c12c(cccc1)OB(O2)[Rh](B1Oc2c(cccc2)O1)([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)[P](C)(C)C.c1(cc(cc(c1)C(F)(F)F)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.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: 13.0318 ± 0.0003 Å
• b: 13.3464 ± 0.0003 Å
• c: 20.4288 ± 0.0005 Å
• α: 79.347 ± 0.002°
• β: 86.005 ± 0.002°
• γ: 83.375 ± 0.002°
• Cell volume: 3464.32 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No