Information card for entry 4116255

Structure parameters

• Formula: C80 H80 Cl2 F6 O3 P4 Rh Sb Zr
• Calculated formula: C80 H80 Cl2 F6 O3 P4 Rh Sb Zr
• SMILES: [Sb](F)(F)([F-])(F)(F)F.[Rh]12([P]34[Zr]56789%10%11([P]%121[C]8(c1ccccc1)=[C]9([C]%10(=[CH]%11%12)C)C)(Cl)(Cl)[C]3(c1ccccc1)=[C]5([C]6(=[CH]47)C)C)[P](c1c(c3c([P]2(c2ccccc2)c2ccccc2)ccc2ccccc32)c2c(cc1)cccc2)(c1ccccc1)c1ccccc1.O1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Dynamic Resolution of a Metallocene: Diastereoselective Assembly of an Early-Late Heterobimetallic Metal-Bridgedansa-Metallocene Opening a Route to Parallel Catalyst Synthesis
• Authors of publication: T. Keith Hollis; Li-Sheng Wang; Fook Tham
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 11737 - 11738
• a: 13.4053 ± 0.0011 Å
• b: 16.3295 ± 0.0013 Å
• c: 17.8203 ± 0.0014 Å
• α: 72.146 ± 0.002°
• β: 80.562 ± 0.002°
• γ: 82.677 ± 0.002°
• Cell volume: 3650.4 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No