Information card for entry 1514760

Structure parameters

• Formula: C28 H34 F12 N4 P2
• Calculated formula: C28 H34 F12 N4 P2
• SMILES: [P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].n12Cc3c(cc(c(c3C)C[n+]3cn(Cc4c(cc(c(c4C)C[n+](c2)cc1)C)C)cc3)C)C
• Title of publication: Antitumor properties and mechanisms of mitochondria-targeted Ag(i) and Au(i) complexes containing N-heterocyclic carbenes derived from cyclophanes.
• Authors of publication: Li, Yi; Liu, Gao-Feng; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan
• Journal of publication: Metallomics : integrated biometal science
• Year of publication: 2014
• Journal volume: 6
• Journal issue: 8
• Pages of publication: 1460 - 1468
• a: 8.66 ± 0.0005 Å
• b: 19.8775 ± 0.001 Å
• c: 11.7276 ± 0.0005 Å
• α: 90°
• β: 130.999 ± 0.003°
• γ: 90°
• Cell volume: 1523.62 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0683
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No