Information card for entry 7021310

Structure parameters

• Formula: C53 H49 Cl O4 P Rh
• Calculated formula: C53 H49 Cl O4 P Rh
• SMILES: [Rh]123(Cl)([P]4(Oc5ccc6ccccc6c5c5c6ccccc6ccc5O4)c4ccc5ccccc5c4c4c5ccccc5ccc4OC)[CH]4=[CH]1CC[CH]2=[CH]3CC4.O(CC)CC
• 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: 9.5919 ± 0.0003 Å
• b: 19.2348 ± 0.0005 Å
• c: 23.6141 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4356.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0388
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No