Information card for entry 7015469

Structure parameters

• Formula: C34 H44 Cl3 F6 N3 O9 P Rh
• Calculated formula: C34 H44 Cl3 F6 N3 O9 P Rh
• SMILES: [Rh]12345(Cl)([n]6c(CN7C=1N(C=C7)[C@@H]1O[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C)COC(=O)C)cccc6)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.ClCCl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Unprecedented diastereoselective generation of chiral-at-metal, half sandwich Ir(III) and Rh(III) complexes via anomeric isomerism on "sugar-coated" N-heterocyclic carbene ligands.
• Authors of publication: Shibata, Teppei; Hashimoto, Hideki; Kinoshita, Isamu; Yano, Shigenobu; Nishioka, Takanori
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 18
• Pages of publication: 4826 - 4829
• a: 12.5638 ± 0.0007 Å
• b: 15.2175 ± 0.0009 Å
• c: 22.2295 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4250 ± 0.4 ų
• Cell temperature: 193.1 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No