Information card for entry 7001948

Structure parameters

• Formula: C4 H14 Cl2 N2 O V
• Calculated formula: C4 H14 Cl2 N2 O V
• SMILES: C[NH](C)[V](=O)(Cl)([NH](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: 16.693 ± 0.003 Å
• b: 9.6467 ± 0.0019 Å
• c: 6.5779 ± 0.0013 Å
• α: 90°
• β: 111.99 ± 0.03°
• γ: 90°
• Cell volume: 982.2 ± 0.4 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: 0.0803
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0547
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No