Information card for entry 4314984

Structure parameters

• Formula: C126 H150 F18 Ir6 N6 O30 S6
• Calculated formula: C124 H150 F12 Ir6 N6 O24 S4
• SMILES: FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].[n]12ccc(C3=C(O[Ir]4567([n]8ccc(cc8)C8=C(O[Ir]9%10%11%12([n]%13ccc(cc%13)C%13=C(C)O[Ir]%14%15%16%17([n]%18ccc(cc%18)C%18=C(O[Ir]%19%20%21%22([n]%23ccc(cc%23)C%23=C(O[Ir]%24%25%26%27([n]%28ccc(cc%28)C%28=C(C)O[Ir]%29%30%31%321([O]=C%28C)[c]1([c]%29([c]%30([c]%31([c]%321C)C)C)C)C)([O]=C%23C)[c]1([c]%24([c]%25([c]%26([c]%271C)C)C)C)C)C)([O]=C%18C)[c]1([c]%19([c]%20([c]%21([c]%221C)C)C)C)C)C)([O]=C%13C)[c]1([c]%14([c]%15([c]%16([c]%171C)C)C)C)C)([O]=C8C)[c]1([c]9([c]%10([c]%11([c]%121C)C)C)C)C)C)([c]1([c]4(C)[c]5([c]6([c]71C)C)C)C)[O]=C3C)C)cc2.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: 47.034 ± 0.016 Å
• b: 11.708 ± 0.004 Å
• c: 35.107 ± 0.012 Å
• α: 90°
• β: 128.854 ± 0.004°
• γ: 90°
• Cell volume: 15055 ± 9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1094
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 0.707
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No