Information card for entry 7107298

Structure parameters

• Formula: C86 H102 N6 O2 U2
• Calculated formula: C86 H102 N6 O2 U2
• SMILES: [U]123456789%10([c]%11([c]4([c]5([c]6([c]7%11C)C)C)C)C)([c]4([c]8(C)[c]2([c]9([c]4%10C)C)C)C)[n]2ccccc2C2=CC=C[C@H](N12)[C@H](c1ccc(cc1)C)O3.[U]123456789%10([c]%11([c]4([c]5([c]6([c]7%11C)C)C)C)C)([c]4([c]8(C)[c]2([c]9([c]4%10C)C)C)C)[n]2ccccc2C2=CC=C[C@@H](N12)[C@@H](c1ccc(cc1)C)O3.c1(ccccn1)c1ccccn1
• Title of publication: Reductive heterocoupling mediated by Cp*2 U(2,2'-bpy)
• Authors of publication: Adil Mohammad; Dennis P. Cladis; William P. Forrest; Phillip E. Fanwick; Suzanne C. Bart
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Journal issue: 11
• Pages of publication: 1671 - 1673
• a: 9.912 ± 0.0004 Å
• b: 10.4913 ± 0.0005 Å
• c: 17.3261 ± 0.0009 Å
• α: 86.613 ± 0.003°
• β: 88.157 ± 0.002°
• γ: 82.654 ± 0.002°
• Cell volume: 1783.28 ± 0.15 ų
• Cell temperature: 150 ± 0.02 K
• Ambient diffraction temperature: 150 ± 0.02 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: 0.082
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.185
• Weighted residual factors for all reflections included in the refinement: 0.189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.235
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No