Information card for entry 4343127

Structure parameters

• Formula: C298 H366 Cl4 Dy4 N14 Na4 Ni24 O72 S24
• Calculated formula: C297.84 H275.88 Cl3.96 Dy3.98 N18 Ni24 O67.94 S24
• Title of publication: Stepwise construction of extra-large heterometallic calixarene-based cages.
• Authors of publication: Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Chen, Lian; Pang, Jiandong; Bawaked, Salem M.; Mokhtar, Mohamed; Al-Thabaiti, Shaeel A; Hong, Maochun
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 3183 - 3188
• a: 23.3568 ± 0.0002 Å
• b: 23.3568 ± 0.0002 Å
• c: 69.7927 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 32973.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for significantly intense reflections: 0.2328
• Weighted residual factors for all reflections included in the refinement: 0.2388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No