Information card for entry 7234977

Structure parameters

• Formula: C24 H34 N4 O10 V2
• Calculated formula: C24 H34 N4 O10 V2
• Title of publication: Stabilization of two conformers via intra- or inter-molecular hydrogen bonds in a dinuclear vanadium(v) complex with a pendant Schiff base: theoretical insight
• Authors of publication: Thakur, Snehasish; Drew, Michael G. B.; Franconetti, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 60
• Pages of publication: 35165
• a: 6.8424 ± 0.0006 Å
• b: 9.4438 ± 0.0008 Å
• c: 21.2231 ± 0.0018 Å
• α: 102.009 ± 0.007°
• β: 98.937 ± 0.007°
• γ: 90.685 ± 0.007°
• Cell volume: 1323.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1002
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No