Information card for entry 7025538

Structure parameters

• Formula: C32 H46 I2 N4 O2 U
• Calculated formula: C32 H46 I2 N4 O2 U
• SMILES: C12N(CCN2c2c(cc(cc2C)C)C)CC(C)(O[U]2=1(=C1N(CCN1c1c(cc(cc1C)C)C)CC(C)(O2)C)(I)I)C
• Title of publication: Lanthanide/actinide differentiation with sterically encumbered N-heterocyclic carbene ligands.
• Authors of publication: Arnold, Polly L.; Turner, Zoë R; Germeroth, Anne I.; Casely, Ian J.; Bellabarba, Ronan; Tooze, Robert P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 29
• Pages of publication: 6808 - 6814
• a: 12.1805 ± 0.0004 Å
• b: 12.0395 ± 0.0004 Å
• c: 12.3962 ± 0.0004 Å
• α: 90°
• β: 101.881 ± 0.002°
• γ: 90°
• Cell volume: 1778.92 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0403
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No