Information card for entry 4124380

Structure parameters

• Formula: C22 H3 Cl3 F10 N2 O2 Pt0.5
• Calculated formula: C22 H3 Cl3 F10 N2 O2 Pt0.5
• Title of publication: Fine-Tuning of β-Substitution to Modulate the Lowest Triplet Excited States: A Bioinspired Approach to Design Phosphorescent Metalloporphyrinoids.
• Authors of publication: Ke, Xian-Sheng; Zhao, Hongmei; Zou, Xiaoran; Ning, Yingying; Cheng, Xin; Su, Hongmei; Zhang, Jun-Long
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Pages of publication: 150817162021003
• a: 12.0453 ± 0.0006 Å
• b: 9.6343 ± 0.0004 Å
• c: 19.4726 ± 0.0008 Å
• α: 90°
• β: 97.43 ± 0.004°
• γ: 90°
• Cell volume: 2240.78 ± 0.17 ų
• Cell temperature: 180.01 ± 0.1 K
• Ambient diffraction temperature: 180.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No