Information card for entry 7001949

Structure parameters

• Formula: C42 H48 Cl2 N4 O V
• Calculated formula: C42 H48 Cl2 N4 O V
• SMILES: C1(N(C=CN1c1c(cc(cc1C)C)C)c1c(C)cc(cc1C)C)=[V](=O)(Cl)(=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)Cl
• Title of publication: Synthesis and structure of early transition metal NHC complexes
• Authors of publication: Lorber, Christian; Vendier, Laure
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 6972
• a: 18.693 ± 0.003 Å
• b: 14.468 ± 0.003 Å
• c: 14.673 ± 0.002 Å
• α: 90°
• β: 100.5 ± 0.02°
• γ: 90°
• Cell volume: 3901.9 ± 1.2 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 6
• 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: 0.0945
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No