Information card for entry 4510125

Structure parameters

• Formula: C60 H66 N8 O28 P6 U3 Zn2
• Calculated formula: C60 H58 N8 O28 P6 U3 Zn2
• Title of publication: Structural Variation within Heterometallic Uranyl Hybrids Based on Flexible Alkyldiphosphonate Ligands
• Authors of publication: Yang, Weiting; Yi, Fei-Yan; Tian, Tao; Tian, Wan-Guo; Sun, Zhong-Ming
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 1366
• a: 12.2596 ± 0.0009 Å
• b: 12.603 ± 0.001 Å
• c: 13.043 ± 0.001 Å
• α: 99.225 ± 0.001°
• β: 105.58 ± 0.001°
• γ: 105.042 ± 0.001°
• Cell volume: 1816.5 ± 0.2 ų
• Cell temperature: 139 ± 2 K
• Ambient diffraction temperature: 139 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No