Information card for entry 4083502

Structure parameters

• Formula: C83 H84 Cl4 F12 Ir4 N4 O20 S4
• Calculated formula: C83 H84 Cl4 F12 Ir4 N4 O20 S4
• Title of publication: Synthesis, Characterization, and Electrochemical Properties of Molecular Rectangles of Half-Sandwich Iridium Complexes Containing Bridging Chloranilate Ligands†
• Authors of publication: Han, Ying-Feng; Lin, Yue-Jian; Jia, Wei-Guo; Jin, Guo-Xin
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 16
• Pages of publication: 4088
• a: 15.502 ± 0.005 Å
• b: 17.303 ± 0.005 Å
• c: 22.752 ± 0.007 Å
• α: 71.007 ± 0.004°
• β: 77.715 ± 0.005°
• γ: 82.149 ± 0.005°
• Cell volume: 5623 ± 3 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: 0.1272
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 0.838
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No