Information card for entry 7232315

Structure parameters

• Formula: C22 H28 Cl2 N4 O6 V2
• Calculated formula: C22 H28 Cl2 N4 O6 V2
• 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: 22.194 ± 0.002 Å
• b: 7.5879 ± 0.0007 Å
• c: 15.5112 ± 0.0012 Å
• α: 90°
• β: 97.479 ± 0.01°
• γ: 90°
• Cell volume: 2590 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No