Information card for entry 4310682

Structure parameters

• Formula: C33 H41 Cl3 N2 O8 Rh2
• Calculated formula: C33 H41 Cl3 N2 O8 Rh2
• SMILES: [Rh]123456(Oc7c(ccc[n]7[Rh]789%10%11(Oc%12c(ccc[n]2%12)C(=O)O7)[c]2([c]8([c]9([c]%10([c]%112C)C)C)C)C)C(=O)O1)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C.C(Cl)(Cl)Cl.O.O
• Title of publication: Diastereoselective Formation of Metallamacrocyclic (Arene)RuII and Cp*RhIII Complexes
• Authors of publication: Marie-Line Lehaire; Rosario Scopelliti; Lorenz Herdeis; Kurt Polborn; Peter Mayer; Kay Severin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1609 - 1617
• a: 9.6579 ± 0.0002 Å
• b: 11.8111 ± 0.0002 Å
• c: 17.6881 ± 0.00029 Å
• α: 107.729 ± 0.0014°
• β: 90.3147 ± 0.0013°
• γ: 109.576 ± 0.0008°
• Cell volume: 1797.74 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No