Information card for entry 1514751

Structure parameters

• Formula: C39 H41 F12 N7 O0 P2
• Calculated formula: C39 H41 F12 N7 P2
• SMILES: [P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].n12c[n+](cc1)Cc1c3c(c(c4c1cccc4)C[n+]1cn(cc1)Cc1c(c(c(cc1C)C)C2)C)cccc3.N#CC.N#CC.N#CC
• 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: 12.9199 ± 0.0009 Å
• b: 15.8918 ± 0.0008 Å
• c: 20.2181 ± 0.0011 Å
• α: 90°
• β: 95.307 ± 0.002°
• γ: 90°
• Cell volume: 4133.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1126
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1815
• Weighted residual factors for all reflections included in the refinement: 0.2048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No