Information card for entry 7010416

Structure parameters

• Formula: C16 H31 Cl2 N3 V
• Calculated formula: C16 H31 Cl2 N3 V
• SMILES: [V](Cl)(Cl)(=Nc1c(cccc1C(C)C)C(C)C)([NH](C)C)[NH](C)C
• Title of publication: Synthesis and X-ray characterization of a monomeric Cp-free d1-imido‒vanadium(IV) complex
• Authors of publication: Lorber, Christian; Donnadieu, Bruno; Choukroun, Robert
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 24
• Pages of publication: 4497
• a: 10.6595 ± 0.0013 Å
• b: 9.7366 ± 0.001 Å
• c: 20.783 ± 0.002 Å
• α: 90°
• β: 103.099 ± 0.014°
• γ: 90°
• Cell volume: 2100.9 ± 0.4 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.1117
• Residual factor for significantly intense reflections: 0.0912
• Weighted residual factors for significantly intense reflections: 0.1504
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK\?
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No