Information card for entry 4514086

Structure parameters

• Formula: C21 H15 F6 N3 O4 P Re
• Calculated formula: C21 H15 F6 N3 O4 P Re
• SMILES: [Re]1([n]2c3c(ccc2)ccc2c3[n]1ccc2)(C#[O])([n]1cc(ccc1)CO)(C#[O])C#[O].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Simultaneously Inducing and Tracking Cancer Cell Metabolism Repression by Mitochondria-Immobilized Rhenium(I) Complex.
• Authors of publication: Yang, Jing; Zhao, Ji-Xian; Cao, Qian; Hao, Liang; Zhou, Danxia; Gan, Zhenji; Ji, Liang-Nian; Mao, Zong-Wan
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2017
• a: 18.1055 ± 0.0003 Å
• b: 13.5482 ± 0.0002 Å
• c: 18.3545 ± 0.0003 Å
• α: 90°
• β: 90.949 ± 0.002°
• γ: 90°
• Cell volume: 4501.69 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No