Information card for entry 7057686

Structure parameters

• Formula: C37.7 H43.4 Cl5.4 N2 O V
• Calculated formula: C37.7 H43.4 Cl5.4 N2 O V
• Title of publication: New oxidovanadium(iv) complex with a BIAN ligand: synthesis, structure, redox properties and catalytic activity
• Authors of publication: Fomenko, Iakov S.; Gushchin, Artem L.; Shul’pina, Lidia S.; Ikonnikov, Nikolay S.; Abramov, Pavel A.; Romashev, Nikolay F.; Poryvaev, Artem S.; Sheveleva, Alena M.; Bogomyakov, Artem S.; Shmelev, Nikita Y.; Fedin, Matvey V.; Shul’pin, Georgiy B.; Sokolov, Maxim N.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 19
• Pages of publication: 16200
• a: 11.5919 ± 0.0002 Å
• b: 29.7642 ± 0.0005 Å
• c: 12.0184 ± 0.0002 Å
• α: 90°
• β: 105.714 ± 0.002°
• γ: 90°
• Cell volume: 3991.65 ± 0.12 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.2104
• Weighted residual factors for all reflections included in the refinement: 0.2307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No