Information card for entry 7227872

Structure parameters

• Formula: C26 H16 O4 P Re
• Calculated formula: C26 H16 O4 P Re
• SMILES: [Re]1([P](c2c3c1cccc3ccc2)(c1ccccc1)c1ccccc1)(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: 11.9989 ± 0.0003 Å
• b: 14.4984 ± 0.0003 Å
• c: 14.8134 ± 0.0004 Å
• α: 64.239 ± 0.002°
• β: 84.8034 ± 0.0019°
• γ: 74.8834 ± 0.0019°
• Cell volume: 2239.82 ± 0.1 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No