Information card for entry 4314985

Structure parameters

• Formula: C126 H150 F18 N6 O30 Rh6 S6
• Calculated formula: C124 H150 F12 N6 O24 Rh6 S4
• SMILES: c1cc2cc[n]1[Rh]13456(OC(=C(c7cc[n](cc7)[Rh]789%10%11(OC(=C(c%12cc[n](cc%12)[Rh]%12%13%14%15%16([O]=C(C(=C(C)O%12)c%12cc[n](cc%12)[Rh]%12%17%18%19%20(OC(=C(c%21cc[n](cc%21)[Rh]%21%22%23%24%25(OC(=C(c%26cc[n](cc%26)[Rh]%26%27%28%29%30([O]=C(C)C2=C(C)O%26)[c]2([c]%27([c]%28([c]%29([c]%302C)C)C)C)C)C(=[O]%21)C)C)[c]2([c]%25([c]%24([c]%23([c]%222C)C)C)C)C)C(=[O]%12)C)C)[c]2([c]%17([c]%18([c]%19([c]%202C)C)C)C)C)C)[c]2([c]%13([c]%14([c]%15([c]%162C)C)C)C)C)C(=[O]7)C)C)[c]2([c]%11([c]%10([c]9([c]82C)C)C)C)C)C(=[O]4)C)C)[c]2([c]1(C)[c]5([c]6([c]32C)C)C)C.FC(S(=O)(=O)[O-])(F)F.FC(F)(F)S(=O)(=O)[O-].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: 47.13 ± 0.03 Å
• b: 11.671 ± 0.008 Å
• c: 35.01 ± 0.03 Å
• α: 90°
• β: 128.995 ± 0.009°
• γ: 90°
• Cell volume: 14967 ± 19 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: 0.1516
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 0.699
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No