Information card for entry 4318326

Structure parameters

• Formula: C18 H33 Cl2 N3 V
• Calculated formula: C18 H33 Cl2 N3 V
• SMILES: c1(c(cccc1C(C)C)C(C)C)N=[V]1([N](CC[N]1(C)C)(C)C)(Cl)Cl
• 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: 11.147 ± 0.005 Å
• b: 19.357 ± 0.005 Å
• c: 10.003 ± 0.005 Å
• α: 90 ± 0.005°
• β: 94.763 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2150.9 ± 1.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No