Information card for entry 4334296

Structure parameters

• Formula: C93 H121 Ho3 N2 O20 S8 Zn
• Calculated formula: C93 H88 Ho3 N2 O20 S8 Zn
• Title of publication: Thiacalix[4]arene-Supported Kite-Like Heterometallic Tetranuclear ZnIILnIII3 (Ln = Gd, Tb, Dy, Ho) Complexes
• Authors of publication: Kongzhao Su; Feilong Jiang; Jinjie Qian; Mingyan Wu; Kecai Xiong; Yanli Gai; Maochun Hong
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 3780 - 3786
• a: 23.4538 ± 0.0009 Å
• b: 12.942 ± 0.0003 Å
• c: 36.2915 ± 0.0013 Å
• α: 90°
• β: 100.78 ± 0.002°
• γ: 90°
• Cell volume: 10821.5 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.0573
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No