Information card for entry 7042055

Structure parameters

• Formula: C90 H78 N8 O11 U2
• Calculated formula: C83 H68 N8 O11 U2
• Title of publication: F-element metalated dipyrrins: synthesis and characterization of a family of uranyl bis(dipyrrinate) complexes.
• Authors of publication: Bolotaulo, Duer; Metta-Magaña, Alejandro; Fortier, Skye
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 10
• Pages of publication: 3284 - 3294
• a: 14.5004 ± 0.0007 Å
• b: 16.3863 ± 0.0008 Å
• c: 16.7499 ± 0.0009 Å
• α: 99.051 ± 0.001°
• β: 103.857 ± 0.001°
• γ: 98.033 ± 0.001°
• Cell volume: 3750.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No