Information card for entry 7232312

Structure parameters

• Formula: C15 H14 Br N2 O3 V
• Calculated formula: C15 H14 Br 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: 12.7168 ± 0.0014 Å
• b: 6.1962 ± 0.0005 Å
• c: 9.641 ± 0.0011 Å
• α: 90°
• β: 91.74 ± 0.01°
• γ: 90°
• Cell volume: 759.32 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0693
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No