Information card for entry 1563919

Structure parameters

• Formula: C23 H21 Cl2 N4 O5 V
• Calculated formula: C23 H21 Cl2 N4 O5 V
• SMILES: [V]1234(OC(=N[N]3=C(C(=[N]4N=C(O1)c1ccc(Cl)cc1)C)C)c1ccc(Cl)cc1)(OC(=CC(=[O]2)C)C)=O
• Title of publication: Ternary pentagonal-bipyramidal oxovanadium(V) complexes containing five- and six-membered chelate rings: Syntheses, structures and properties
• Authors of publication: Srivastava, Ankit Kumar; Ghosh, Sabari; Jana, Subhendu; Pal, Samudranil
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2018
• Journal volume: 483
• Pages of publication: 329 - 336
• a: 7.192 ± 0.0004 Å
• b: 11.0218 ± 0.0006 Å
• c: 16.3414 ± 0.0009 Å
• α: 81.987 ± 0.002°
• β: 78.321 ± 0.002°
• γ: 84.245 ± 0.002°
• Cell volume: 1252.69 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No