Information card for entry 7232313

Structure parameters

• Formula: C13 H18 Cl N2 O3 V
• Calculated formula: C13 H18 Cl N2 O3 V
• Title of publication: Analysis of energies of halogen and hydrogen bonding interactions in the solid state structures of vanadyl Schiff base complexes
• 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: 9
• Pages of publication: 4789
• a: 14.1152 ± 0.0007 Å
• b: 6.9353 ± 0.0003 Å
• c: 15.1466 ± 0.0007 Å
• α: 90°
• β: 106.842 ± 0.005°
• γ: 90°
• Cell volume: 1419.15 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0464
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No