Information card for entry 7025620

Structure parameters

• Formula: C90 H93 B2 N7 U
• Calculated formula: C90 H93 B2 N7 U
• SMILES: [U]123456789([n]%10cccc%11c%10c%10[n]1cccc%10cc%11)([N]#CC)([N]#CC)([N]#CC)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)[c]1([c]9([c]8([c]7([c]61C)C)C)C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.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: 9.513 ± 0.0014 Å
• b: 28.901 ± 0.006 Å
• c: 28.972 ± 0.005 Å
• α: 70.36 ± 0.008°
• β: 82.842 ± 0.009°
• γ: 85.27 ± 0.011°
• Cell volume: 7437 ± 2 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: 0.1941
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.1847
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No