Information card for entry 7709651

Structure parameters

• Formula: C18 H42 B2 Cl O4 P2 Rh
• Calculated formula: C18 H42 B2 Cl O4 P2 Rh
• SMILES: [Rh](Cl)([P](C)(C)C)([P](C)(C)C)(B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)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: 34.9213 ± 0.0018 Å
• b: 34.9213 ± 0.0018 Å
• c: 11.6219 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12274.1 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1678
• Weighted residual factors for all reflections included in the refinement: 0.1767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No