Information card for entry 7042056

Structure parameters

• Formula: C260 H208 Fe12 N16 O18 U6
• Calculated formula: C266.8 H228 Fe12 N24 O18 U6
• 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: 20.5164 ± 0.0008 Å
• b: 20.5164 ± 0.0008 Å
• c: 16.8469 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6141.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No