Information card for entry 7025621

Structure parameters

• Formula: C87 H87 B2 N5 U
• Calculated formula: C87 H87 B2 N5 U
• SMILES: [U]123456789%10([n]%11ccccc%11c%11[n]1c(ccc%11)c1[n]2cccc1)([N]#CC)([N]#CC)([c]1([c]3([c]4([c]5([c]61C)C)C)C)C)[c]1([c]%10([c]9([c]8([c]71C)C)C)C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 9.6247 ± 0.0008 Å
• b: 25.487 ± 0.002 Å
• c: 29.339 ± 0.003 Å
• α: 85.358 ± 0.005°
• β: 86.673 ± 0.005°
• γ: 81.625 ± 0.006°
• Cell volume: 7089.1 ± 1.1 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: 0.2249
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1729
• Goodness-of-fit parameter for all reflections included in the refinement: 0.866
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No