Information card for entry 4314987

Structure parameters

• Formula: C80 H88 F12 N4 O20 Ru4 S4
• Calculated formula: C80 H88 F12 N4 O20 Ru4 S4
• SMILES: CC1=CC2c3c[n](ccc3)[Ru]345678(OC(=CC(=[O]3)c3c[n](ccc3)[Ru]39%10%11%12%13(OC(=CC(c%14c[n](ccc%14)[Ru]%14%15%16%17%18%19(OC(=CC(=[O]%14)c%14c[n]([Ru]%20%21%22%23%24(O1)([O]=2)[c]1([cH]%24[cH]%23[c]%22([cH]%21[cH]%201)C)C(C)C)ccc%14)C)[c]1([cH]%15[cH]%16[c]%17([cH]%18[cH]%191)C)C(C)C)=[O]3)C)[c]1([cH]%13[cH]%12[c]%11([cH]%10[cH]91)C)C(C)C)C)[c]1([cH]4[cH]5[c]6([cH]7[cH]81)C)C(C)C.FC(F)(F)S(=O)(=O)[O-].FC(F)(S(=O)(=O)[O-])F.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-]
• Title of publication: Two-Step Assembly of Multinuclear Metallacycles with Half-Sandwich Ir, Rh, and Ru Fragments for Counteranion Encapsulation
• Authors of publication: Guo-Liang Wang; Yue-Jian Lin; Heinz Berke; Guo-Xin Jin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2193 - 2201
• a: 10.812 ± 0.006 Å
• b: 14.418 ± 0.008 Å
• c: 15.527 ± 0.009 Å
• α: 90.438 ± 0.008°
• β: 106.249 ± 0.008°
• γ: 94.686 ± 0.007°
• Cell volume: 2315 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1285
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 0.858
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No