Information card for entry 4318330

Structure parameters

• Formula: C21 H18 Cl4 N4 V
• Calculated formula: C21 H18 Cl4 N4 V
• SMILES: [V](Cl)(Cl)(=Nc1c(Cl)cccc1Cl)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1
• Title of publication: Synthesis and Structure of a Series of New d1-Aryl Imido-Vanadium(IV) Complexes Stabilized by N-Donor Ligands
• Authors of publication: Christian Lorber; Robert Choukroun; Bruno Donnadieu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4217 - 4226
• a: 10.355 ± 0.002 Å
• b: 9.966 ± 0.002 Å
• c: 22.725 ± 0.005 Å
• α: 90°
• β: 98.84 ± 0.03°
• γ: 90°
• Cell volume: 2317.3 ± 0.8 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• 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: 0.1384
• Residual factor for significantly intense reflections: 0.1227
• Weighted residual factors for significantly intense reflections: 0.347
• Weighted residual factors for all reflections included in the refinement: 0.3597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No