Information card for entry 4310685

Structure parameters

• Formula: C64 H71 Cl6 N3 O6 Ru3
• Calculated formula: C64 H71 Cl6 N3 O6 Ru3
• SMILES: [Ru]1234567(Oc8[n]([Ru]9%10%11%12%13%14(Oc%15[n]([Ru]%16%17%18%19%20%21(Oc%22[n]2c2c(cc%22O%16)cccc2)[c]2([cH]%21[cH]%20[c]%19([cH]%18[cH]%172)C(C)C)C)c2c(cc%15O9)cccc2)[c]2([cH]%10[cH]%11[c]%12([cH]%13[cH]%142)C(C)C)C)c2c(cc8O1)cccc2)[c]1([cH]3[cH]4[c]5([cH]6[cH]71)C(C)C)C.ClC(Cl)Cl.ClC(Cl)Cl.CCCCC
• 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: 24.7004 ± 0.0017 Å
• b: 18.2764 ± 0.0017 Å
• c: 27.586 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12453.3 ± 1.7 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No