Information card for entry 7014208

Structure parameters

• Formula: C82 H76 N6 O19 U3
• Calculated formula: C82 H74 N6 O19 U3
• SMILES: [U]123456([O]7[U]89%10%11%12(Oc%13c7c(ccc%13)C=[N]2c2ccccc2[N]3=Cc2c([O]18)c(O9)ccc2)[O]4c1c2[O]%10[U]34789(Oc%10c(C=[N]4c4c([N]3=Cc2ccc1)cccc4)cccc%10[O-])[O]%12c1c(O%11)cccc1C=[N]8c1ccccc1[N]9=Cc1c(O7)c([O-])ccc1)([O]=C(C)C=C(O5)C)OC(=CC(=[O]6)C)C.O1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Synthesis and crystal structure of uranium(IV) complexes with compartmental Schiff bases: from mononuclear species to tri- and tetranuclear clusters.
• Authors of publication: Salmon, Lionel; Thuéry, Pierre; Ephritikhine, Michel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 10
• Pages of publication: 1635 - 1643
• a: 12.7267 ± 0.0007 Å
• b: 15.4321 ± 0.001 Å
• c: 19.6494 ± 0.0011 Å
• α: 75.846 ± 0.005°
• β: 87.788 ± 0.005°
• γ: 78.112 ± 0.005°
• Cell volume: 3661.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No