Information card for entry 4334635

Structure parameters

• Formula: C107.75 H112 F7.5 N27 O34.75 S2.5 Zn10
• Calculated formula: C107.75 H96 F7.5 N27 O34.75 S2.5 Zn10
• 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: 13.9392 ± 0.0003 Å
• b: 14.4645 ± 0.0003 Å
• c: 19.5726 ± 0.0014 Å
• α: 83.76 ± 0.006°
• β: 89.32 ± 0.006°
• γ: 74.143 ± 0.005°
• Cell volume: 3773 ± 0.3 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.2113
• Weighted residual factors for all reflections included in the refinement: 0.2144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No