Information card for entry 7227875

Structure parameters

• Formula: C28 H17 F3 O6 P Re
• Calculated formula: C28 H17 F3 O6 P Re
• SMILES: [Re]([P](c1ccccc1)(c1cccc2c1cccc2)c1ccccc1)(OC(=O)C(F)(F)F)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis, structures and catalytic activity of cyclometalated rhenium complexes
• Authors of publication: Sun, Ruichen; Wang, Tian; Zhang, Shaowei; Chu, Xiaodan; Zhu, Bolin
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 28
• Pages of publication: 17063
• a: 24.3119 ± 0.0009 Å
• b: 11.3315 ± 0.0003 Å
• c: 19.6695 ± 0.0006 Å
• α: 90°
• β: 98.995 ± 0.003°
• γ: 90°
• Cell volume: 5352.1 ± 0.3 ų
• Cell temperature: 154.5 ± 0.9 K
• Ambient diffraction temperature: 154.5 ± 0.9 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: 0.0563
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No