Information card for entry 7111462

Structure parameters

• Formula: C36 H52 N6 O2 U
• Calculated formula: C36 H52 N6 O2 U
• SMILES: C1CN2C(N(C=C2)c2c(cc(cc2C)C)C)=[U]2(N1C(C)(C)C)(=O)(=C1N(CCN2C(C)(C)C)C=CN1c1c(cc(cc1C)C)C)=O
• Title of publication: Bent metal carbene geometries in amido N-heterocyclic carbene complexes
• Authors of publication: Mungur, Shaheed A.; Liddle, Stephen T.; Wilson, Claire; Sarsfield, Mark J.; Arnold, Polly L.
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 23
• Pages of publication: 2738 - 2739
• a: 22.899 ± 0.005 Å
• b: 10.128 ± 0.005 Å
• c: 15.221 ± 0.005 Å
• α: 90°
• β: 97.608 ± 0.005°
• γ: 90°
• Cell volume: 3499 ± 2 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: 0.0804
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No