Information card for entry 4343074

Structure parameters

• Formula: C40 H50 Fe N2 O4 U
• Calculated formula: C40 H50 Fe N2 O4 U
• SMILES: c12c(cc(cc1C=[N]1[c]34[cH]5[cH]6[cH]7[cH]3[Fe]389%104567[c]4([cH]3[cH]8[cH]9[cH]%104)[N]3[U]1(O2)(=O)(Oc1c(cc(cc1C=3)C(C)(C)C)C(C)(C)C)=O)C(C)(C)C)C(C)(C)C
• Title of publication: Ferrocene-Based Tetradentate Schiff Bases as Supporting Ligands in Uranium Chemistry.
• Authors of publication: Camp, Clément; Chatelain, Lucile; Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 5774 - 5783
• a: 12.1057 ± 0.0002 Å
• b: 22.9932 ± 0.0004 Å
• c: 27.3994 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7626.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 73
• Hermann-Mauguin space group symbol: I b c a
• Hall space group symbol: -I 2b 2c
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No