Information card for entry 7124023

Structure parameters

• Formula: C54 H38 F6 Ir N6 P
• Calculated formula: C54 H38 F6 Ir N6 P
• Title of publication: Photoswitchable Förster resonance energy transfer (FRET) within a heterometallic Ir-Pt macrocycle
• Authors of publication: Yang, Hai-Bo; Qin, Yi; Chen, Li-Jun; Zhang, Ying; Hu, Yi-Xiong; Jiang, Wei-Ling; Yin, Guang-Qiang; Tan, Hongwei; Li, Xiaopeng; Xu, Lin
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 14.3137 ± 0.0002 Å
• b: 25.3773 ± 0.0002 Å
• c: 14.5162 ± 0.0001 Å
• α: 90°
• β: 106.336 ± 0.001°
• γ: 90°
• Cell volume: 5060.03 ± 0.09 ų
• Cell temperature: 99.9 ± 0.2 K
• Ambient diffraction temperature: 99.9 ± 0.2 K
• Number of distinct elements: 6
• 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: 0.0681
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1497
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No