Information card for entry 7025622

Structure parameters

• Formula: C58 H77 I2 N11 U
• Calculated formula: C58 H77 I2 N11 U
• SMILES: [U]123456789%10%11([n]%12nc%13c(nc%12c%12[n]1c(ccc%12)c1[n]2c(ccc1)c1[n]3nc2c(n1)C(CCC2(C)C)(C)C)C(CCC%13(C)C)(C)C)([N]#CC)([c]1([c]4([c]5([c]6([c]71C)C)C)C)C)[c]1([c]8([c]9([c]%10([c]%111C)C)C)C)C.[I-].[I-].N#CC.N#CC
• Title of publication: Linear uranium metallocenes with polydentate aromatic nitrogen ligands.
• Authors of publication: Berthet, Jean-Claude; Maynadié, Jérôme; Thuéry, Pierre; Ephritikhine, Michel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 29
• Pages of publication: 6801 - 6807
• a: 54.595 ± 0.005 Å
• b: 9.4333 ± 0.0008 Å
• c: 22.747 ± 0.002 Å
• α: 90°
• β: 92.829 ± 0.006°
• γ: 90°
• Cell volume: 11700.7 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1133
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No