Information card for entry 4328109

Structure parameters

• Formula: C60 H46 F6 Ir2 N8 O6 S2
• Calculated formula: C60 H46 F6 Ir2 N8 O6 S2
• SMILES: c1[n]2[Ir]34([n]5c(c6ccccc46)cccc5)([n]4ccccc4C=[N]3CC[N]3=Cc4[n](cccc4)[Ir]453([n]3ccccc3c3ccccc43)[n]3ccccc3c3ccccc53)c3ccccc3c2ccc1.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Ligand-Bridged Dinuclear Cyclometalated IrIII Complexes: From Metallamacrocycles to Discrete Dimers
• Authors of publication: Vadapalli Chandrasekhar; Tanima Hajra; Jitendra K. Bera; S.M. Wahidur Rahaman; Nisa Satumtira; Oussama Elbjeirami; Mohammad A. Omary
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 1319 - 1329
• a: 14.866 ± 0.004 Å
• b: 13.167 ± 0.003 Å
• c: 17.161 ± 0.004 Å
• α: 90°
• β: 108.725 ± 0.004°
• γ: 90°
• Cell volume: 3181.3 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No