Information card for entry 4077394

Structure parameters

• Formula: C52 H72 Cl4 Li N4 O3 U2
• Calculated formula: C52 H72 Cl4 Li N4 O3 U2
• SMILES: [U]123456789%10%11(Cl)(Cl)[N]%12%13[C]%14%15[U]%16%17%18%19%20%21%22%23%24%25%12([Cl][Li]([Cl]%22)([O]%12CCCC%12)[O]%12CCCC%12)[N]%121[C]4(C1%14CCCCC1)=[CH]%10[CH]5=[C]6%12C1(CCCCC1)[C]1%19[N]2%23[C]%21(C2(CCCCC2)[C]27=[CH]%11[CH]8=[C]9([N]3%162)C2([C]%13%17=[CH]%24[CH]=%15%18)CCCCC2)=[CH]%20[CH]%25=1.O1CCCC1
• Title of publication: Dinuclear Trivalent and Mixed-Valence Uranium [(−CH2−)5]4-calix[4]tetrapyrrole Complexes with Short Intermetallic Distances
• Authors of publication: Korobkov, Ilia; Gambarotta, Sandro; Yap, Glenn P. A.; Thompson, Laurence; Hay, P. Jeffrey
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 25
• Pages of publication: 5440
• a: 12.115 ± 0.001 Å
• b: 16.211 ± 0.001 Å
• c: 27.406 ± 0.002 Å
• α: 90°
• β: 99.415 ± 0.002°
• γ: 90°
• Cell volume: 5309.9 ± 0.7 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No