Information card for entry 4301482

Structure parameters

• Formula: C53 H26 Cl2 F8 Ir2 N4 O4
• Calculated formula: C53 H24 Cl2 F8 Ir2 N4 O4
• SMILES: c12c(cc(cc1c1[n]([Ir]32([n]2c(oc4ccccc24)c2c3c(F)cc(F)c2)[Ir]23(c4c(cc(cc4c4[n]2c2c(cccc2)o4)F)F)[n]2c(oc4ccccc24)c2c3c(F)cc(F)c2)c2c(cccc2)o1)F)F.C(Cl)Cl
• Title of publication: A Novel Cyclometalated Dimeric Iridium Complex, [(dfpbo)2Ir]2[dfpbo = 2-(3,5-Difluorophenyl)benzoxazolato-N,C2'], Containing an Unsupported IrII-IrII Bond
• Authors of publication: Hsiu-Pen Lee; Yi-Fen Hsu; Tsun-Ren Chen; Jhy-Der Chen; Kelvin H.-C. Chen; Ju-Chun Wang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 1263 - 1265
• a: 15.917 ± 0.005 Å
• b: 18.122 ± 0.004 Å
• c: 17.407 ± 0.004 Å
• α: 90°
• β: 111.717 ± 0.019°
• γ: 90°
• Cell volume: 4665 ± 2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0726
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No