Information card for entry 4110813

Structure parameters

• Formula: C46 H57 Co N2 O5 U
• Calculated formula: C46 H56 Co N2 O5 U
• SMILES: [U]123(Oc4c(cc(cc4C=[N]1c1ccccc1[N]3=Cc1cc(cc(c1O2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)(=O)(=O)=O.[Co]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Contrasting Solvent and Capping Ligand Effects Directing the Photochemistry of Uranyl(VI) Schiff Base Complexes
• Authors of publication: Anthony E. Vaughn; Daniel B. Bassil; Charles L. Barnes; Sheryl A. Tucker; Paul B. Duval
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 10656 - 10657
• a: 17.896 ± 0.002 Å
• b: 19.084 ± 0.003 Å
• c: 17.98 ± 0.002 Å
• α: 90°
• β: 113.337 ± 0.002°
• γ: 90°
• Cell volume: 5638.3 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0862
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No