Information card for entry 4511577

Structure parameters

• Formula: C14 H12 Cu N2 O13 U
• Calculated formula: C14 H11 Cu N2 O13 U
• Title of publication: CuPYDC Metalloligands and Postsynthetic Rearrangement/Metalation as Routes to Bimetallic Uranyl Containing Hybrid Materials: Syntheses, Structures, and Fluorescence
• Authors of publication: Kerr, Andrew T.; Cahill, Christopher L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 4094
• a: 9.344 ± 0.004 Å
• b: 10.249 ± 0.004 Å
• c: 11.295 ± 0.005 Å
• α: 90.275 ± 0.006°
• β: 113.058 ± 0.006°
• γ: 110.556 ± 0.006°
• Cell volume: 919.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.0478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No