Information card for entry 7035075

Structure parameters

• Formula: C25 H33 Cl2 F6 Ir N4 O6 S4
• Calculated formula: C24 H31 F6 Ir N4 O6 S4
• SMILES: [Ir]1234567([S]=c8n(ccn8C[CH]2=[CH]3Cn2c(=[S]1)n(cc2)C)C)[c]1([c]4([c]5([c]6([c]71C)C)C)C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Synthesis of a new type of alkene metal complex using face-capping thione-alkene ligands.
• Authors of publication: Zhang, Long; Yan, Tao; Han, Ying-Feng; Hahn, F. Ekkehardt; Jin, Guo-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 19
• Pages of publication: 8797 - 8800
• a: 11.944 ± 0.003 Å
• b: 12.599 ± 0.003 Å
• c: 12.787 ± 0.003 Å
• α: 106.941 ± 0.003°
• β: 91.963 ± 0.003°
• γ: 93.828 ± 0.003°
• Cell volume: 1833.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No