Information card for entry 4067782

Structure parameters

• Formula: C96 H100 F12 Ir4 N8 O16 S4
• Calculated formula: C95 H100 F9 Ir4 N8 O13 S3
• Title of publication: [2+2] Photodimerization in the Solid State Aided by Molecular Templates of Rectangular Macrocycles Bearing Oxamidato Ligands
• Authors of publication: Zhang, Wan-Zheng; Han, Ying-Feng; Lin, Yue-Jian; Jin, Guo-Xin
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 13
• Pages of publication: 2842
• a: 15.272 ± 0.006 Å
• b: 16.769 ± 0.007 Å
• c: 22.522 ± 0.01 Å
• α: 101.9 ± 0.006°
• β: 95.976 ± 0.006°
• γ: 94.781 ± 0.006°
• Cell volume: 5581 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1287
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 0.833
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No