Information card for entry 4334636

Structure parameters

• Formula: C87.5 H75.9 B2 F8 N17.5 O10.2 Zn5
• Calculated formula: C85.22 H69.05 B2 F8 N16.84 O10.2 Zn5
• Title of publication: Isolation of Elusive Tetranuclear and Pentanuclear M(II)-Hydroximate Intermediates in the Assembly of Lanthanide [15-Metallacrown-5] Complexes
• Authors of publication: Joseph Jankolovits; Jeff W. Kampf; Vincent L. Pecoraro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5063 - 5076
• a: 20.048 ± 0.004 Å
• b: 23.873 ± 0.003 Å
• c: 18.784 ± 0.003 Å
• α: 90°
• β: 93.19 ± 0.018°
• γ: 90°
• Cell volume: 8976 ± 3 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0888
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.1762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No