Information card for entry 7021311

Structure parameters

• Formula: C90 H74 B F4 O8 P2 Rh
• Calculated formula: C90 H74 B F4 O8 P2 Rh
• SMILES: [Rh]123456([P]7(Oc8ccc9ccccc9c8c8c9ccccc9ccc8O7)c7ccc8ccccc8c7c7c8ccccc8ccc7OC)[P]7(Oc8ccc9ccccc9c8c8c9ccccc9ccc8O7)c7ccc8ccccc8c7[c]71[c]12cccc[c]31[cH]4[cH]5[c]67OC.O(CC)CC.O(CC)CC.[B](F)(F)(F)[F-]
• Title of publication: Chiral MOP-phosphonite ligands: synthesis, characterisation and interconversion of η(1),η(6)-(σ-P, π-arene) chelated rhodium(i) complexes.
• Authors of publication: Ficks, Arne; Harrington, Ross W.; Higham, Lee J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 18
• Pages of publication: 6302 - 6305
• a: 14.0434 ± 0.0004 Å
• b: 20.3321 ± 0.0006 Å
• c: 25.7605 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7355.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No