Information card for entry 7006601

Structure parameters

• Formula: C41 H50 B2 F8 N8 O V
• Calculated formula: C41 H50 B2 F8 N8 O V
• SMILES: [V]12(=O)([N]#CC)([N]#CC)[n]3c(N4C=CN(C=24)c2c(cccc2C(C)C)C(C)C)cccc3N2C=CN(C=12)c1c(cccc1C(C)C)C(C)C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].C(#N)C
• Title of publication: 'Pincer' dicarbene complexes of some early transition metals and uranium.
• Authors of publication: Pugh, David; Wright, Joseph A.; Freeman, Sandra; Danopoulos, Andreas A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 6
• Pages of publication: 775 - 782
• a: 16.851 ± 0.003 Å
• b: 12.707 ± 0.004 Å
• c: 21.564 ± 0.004 Å
• α: 90°
• β: 100.152 ± 0.013°
• γ: 90°
• Cell volume: 4545.1 ± 1.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0957
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No