Information card for entry 4302919

Structure parameters

• Formula: C44 H58 Cl4 N2 O2 Rh4 S2
• Calculated formula: C44 H58 Cl4 N2 O2 Rh4 S2
• SMILES: [n]12c3O[Rh]456([S](c7[n]8c(O[Rh]9%10%11([S](c1ccc3)[Rh]13%128[CH]8=[CH]1CC[CH]3=[CH]%12CC8)[CH]1=[CH]%10CC[CH]%11=[CH]9CC1)ccc7)[Rh]1372[CH]2=[CH]1CC[CH]3=[CH]7CC2)[CH]1CC[CH]4=[CH]5CC[CH]6=1.C(Cl)Cl.C(Cl)Cl
• Title of publication: Synthesis of Tetranuclear Rhodium and Iridium Complexes Directed by 6-Mercaptopyridin-2-ol: Electrochemical Behavior, Chemical Oxidation, and Coordination Chemistry
• Authors of publication: Pablo J. Alonso; Oscar Benedí; María J. Fabra; Fernando J. Lahoz; Luis A. Oro; Jesús J. Pérez-Torrente
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 7984 - 7993
• a: 9.3868 ± 0.0011 Å
• b: 18.516 ± 0.002 Å
• c: 25.869 ± 0.003 Å
• α: 90°
• β: 98.994 ± 0.002°
• γ: 90°
• Cell volume: 4440.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0412
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No