Information card for entry 7103051

Structure parameters

• Formula: C74 H84 Cl2 F12 Ir4 N4 O20 S4
• Calculated formula: C74 H84 Cl2 F12 Ir4 N4 O20 S4
• Title of publication: Template-controlled topochemical photodimerization based on "organometallic macrocycles" through single-crystal to single-crystal transformation.
• Authors of publication: Han, Ying-Feng; Lin, Yue-Jian; Jia, Wei-Guo; Wang, Guo-Liang; Jin, Guo-Xin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 15
• Pages of publication: 1807 - 1809
• a: 12.607 ± 0.003 Å
• b: 14.302 ± 0.003 Å
• c: 24.551 ± 0.006 Å
• α: 90°
• β: 103.23 ± 0.004°
• γ: 90°
• Cell volume: 4309.5 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.1017
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No