Information card for entry 7042054

Structure parameters

• Formula: C56 H73 N6 O3 U
• Calculated formula: C50 H44 N6 O3 U
• 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: 9.3522 ± 0.0006 Å
• b: 26.9204 ± 0.0016 Å
• c: 18.8537 ± 0.0011 Å
• α: 90°
• β: 102.963 ± 0.001°
• γ: 90°
• Cell volume: 4625.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• 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: 0.0679
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.258
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No