Information card for entry 4514531

Structure parameters

• Formula: C64 H40 F12 N8 O6 P2 Re2
• Calculated formula: C64 H40 F12 N8 O6 P2 Re2
• SMILES: c1cc(c2c3[n]1[Re]([n]1c3c(cc2)c(cc1)c1ccccc1)([n]1ccc(/N=N/c2cc[n](cc2)[Re]2([n]3ccc(c4c3c3c(c(cc[n]23)c2ccccc2)cc4)c2ccccc2)(C#[O])(C#[O])C#[O])cc1)(C#[O])(C#[O])C#[O])c1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Mitochondria-Accumulating Rhenium(I) Tricarbonyl Complexes Induce Cell Death via Irreversible Oxidative Stress and Glutathione Metabolism Disturbance.
• Authors of publication: Wang, Fang-Xin; Liang, Jin-Hao; Zhang, Hang; Wang, Ze-Hua; Wan, Qin; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 14
• Pages of publication: 13123 - 13133
• a: 10.6178 ± 0.0019 Å
• b: 13.052 ± 0.002 Å
• c: 13.211 ± 0.003 Å
• α: 116.585 ± 0.003°
• β: 106.062 ± 0.003°
• γ: 95.673 ± 0.003°
• Cell volume: 1519.6 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No