Information card for entry 7044299

Structure parameters

• Formula: C27 H41 Cl4 N5 O2 U
• Calculated formula: C27 H41 Cl4 N5 O2 U
• SMILES: [U]12(Cl)(Cl)(Cl)(Cl)[n]3[nH]c(cc3c3[n]1c(ccc3)c1[n]2[nH]c(c1)C(C)(C)C)C(C)(C)C.O1CCCC1.O1CCCC1
• Title of publication: Synthesis and Characterization of Uranium(IV) Tetrachloro Complexes in Bis-Pyrazolylpyridine Ligand Environments
• Authors of publication: Korzekwa, Jana; Scheurer, Andreas; Heinemann, Frank; Meyer, Karsten
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 21.9855 ± 0.0016 Å
• b: 9.6676 ± 0.0007 Å
• c: 30.261 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6431.9 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No