Information card for entry 7001802

Structure parameters

• Formula: C24 H74 O61 Zr6
• Calculated formula: C24 H48 O61 Zr6
• Title of publication: First hexanuclear zirconium macrocycle sustained in a chair-like conformation by glycolic acids
• Authors of publication: Fitzgerald, Michael; Pappas, Iraklis; Zheng, Chong; Xie, Zai-Lai; Huang, Xiao-Ying; Tao, Songtao; Pan, Long
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 32
• Pages of publication: 6289 - 6291
• a: 12.262 ± 0.0015 Å
• b: 17.598 ± 0.0012 Å
• c: 15.2849 ± 0.0011 Å
• α: 90°
• β: 92.59 ± 0.01°
• γ: 90°
• Cell volume: 3294.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0877
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1711
• Weighted residual factors for all reflections included in the refinement: 0.1886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No