Information card for entry 7006600

Structure parameters

• Formula: C35 H41 Cl2 N5 O V
• Calculated formula: C35 H41 Cl2 N5 O V
• SMILES: c12cccc3[n]1[V](=C1N2C=CN1c1c(C(C)C)cccc1C(C)C)(=C1N3C=CN1c1c(C(C)C)cccc1C(C)C)(Cl)(Cl)=O
• 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: 16.699 ± 0.005 Å
• b: 19.125 ± 0.005 Å
• c: 22.226 ± 0.006 Å
• α: 90°
• β: 97.012 ± 0.004°
• γ: 90°
• Cell volume: 7045 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1342
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.1795
• Weighted residual factors for all reflections included in the refinement: 0.2073
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.6868 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No