Information card for entry 7124933

Structure parameters

• Formula: C192 H240 Cl4 N36 Ni4 O16
• Calculated formula: C192 H240 Cl4 N36 Ni1.32 O16
• 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: 23.4359 ± 0.0005 Å
• b: 23.4359 ± 0.0005 Å
• c: 23.4359 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12872 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 197
• Hermann-Mauguin space group symbol: I 2 3
• Hall space group symbol: I 2 2 3
• Residual factor for all reflections: 0.1623
• Residual factor for significantly intense reflections: 0.112
• Weighted residual factors for significantly intense reflections: 0.2942
• Weighted residual factors for all reflections included in the refinement: 0.3282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No