Information card for entry 7124936

Structure parameters

• Formula: C241 H264 F3 N36 Ni4 O3 S
• Calculated formula: C241 H264 F3 N36 Ni4 O3 S
• Title of publication: Enantiomers of tetrahedral metal-organic cages: a new class of highly efficient G-quadruplex ligands with potential anticancer activities.
• Authors of publication: Xi, Sai-Fei; Bao, Ling-Yu; Lin, Jian-Guo; Liu, Qing-Zhu; Qiu, Ling; Zhang, Feng-Li; Wang, Yu-Xia; Ding, Zheng-Dong; Li, Ke; Gu, Zhi-Guo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 67
• Pages of publication: 10261 - 10264
• a: 19.222 ± 0.003 Å
• b: 20.854 ± 0.003 Å
• c: 22.254 ± 0.003 Å
• α: 106.518 ± 0.003°
• β: 103.878 ± 0.004°
• γ: 112.172 ± 0.003°
• Cell volume: 7289.5 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.182
• Residual factor for significantly intense reflections: 0.101
• Weighted residual factors for significantly intense reflections: 0.2209
• Weighted residual factors for all reflections included in the refinement: 0.2438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No