Information card for entry 4081147

Structure parameters

• Common name: [(Fc-NHC)2Ir(CO)2][Ir(CO2)Cl2]
• Formula: C50 H48 Cl2 Fe2 Ir2 N4 O4
• Calculated formula: C50 H48 Cl2 Fe2 Ir2 N4 O4
• SMILES: C1(N(C=CN1C[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)c1c(cc(cc1C)C)C)=[Ir](=C1N(C=CN1c1c(cc(cc1C)C)C)C[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)(C#[O])C#[O].C(#[O])[Ir](C#[O])(Cl)Cl
• Title of publication: Cationic Iridium Complexes Containing Anionic Iridium Counterions Supported by Redox-Active N-Heterocyclic Carbenes
• Authors of publication: Arumugam, Kuppuswamy; Chang, Jinho; Lynch, Vincent M.; Bielawski, Christopher W.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 15
• Pages of publication: 4334
• a: 16.027 ± 0.013 Å
• b: 16.749 ± 0.013 Å
• c: 19.181 ± 0.015 Å
• α: 90°
• β: 105.491 ± 0.002°
• γ: 90°
• Cell volume: 4962 ± 7 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No