Information card for entry 7014273

Structure parameters

• Formula: C98 H94 Cl8 N14 O16 U4
• Calculated formula: C98 H90 Cl8 N14 O16 U4
• SMILES: c1cccc[nH+]1.c1cccc[nH+]1.n1ccccc1.[U]123456([N]7=Cc8c9c(O[U]%10%11(Cl)(Cl)([O]2c2c(O%10)c(ccc2)C=NCCCN=Cc2c%10c(O[U]%12%13%14%15(Cl)([N]%16=Cc%17c%18c(ccc%17)O[U]%17%19(Cl)(Cl)([O]%13c%13c(c(ccc%13)C=NCCCN=Cc%13c(O5)c(O6)ccc%13)O%17)([O]%14%18)[O]%15c5c(C=[N]%12CCC%16)cccc5O%19)O%10)ccc2)([O]39)[O]4c2c(C=[N]1CCC7)cccc2O%11)ccc8)Cl.[Cl-].c1cccc[nH+]1.c1cccc[nH+]1.n1ccccc1.[Cl-]
• Title of publication: Synthesis and crystal structure of tetra- and hexanuclear uranium(IV) complexes with hexadentate compartmental Schiff-base ligands.
• Authors of publication: Salmon, Lionel; Thuéry, Pierre; Ephritikhine, Michel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 24
• Pages of publication: 4139 - 4145
• a: 12.233 ± 0.003 Å
• b: 13.0849 ± 0.0019 Å
• c: 17.421 ± 0.004 Å
• α: 80.235 ± 0.015°
• β: 83.042 ± 0.011°
• γ: 70.043 ± 0.012°
• Cell volume: 2577.1 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1481
• Residual factor for significantly intense reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.1884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No