Information card for entry 4307752

Structure parameters

• Formula: C56 H44 N12 O4 V
• Calculated formula: C56 H44 N12 O4 V
• SMILES: [V]123456([N](=C(c7ccccc7)C(=[N]3N=C(c3ccccc3N)O5)c3ccccc3)N=C(c3ccccc3N)O4)OC(=N[N]1=C(C(=[N]2N=C(c1ccccc1N)O6)c1ccccc1)c1ccccc1)c1ccccc1N
• Title of publication: Simple General Method of Generating Non-oxo, Non-amavadine Model Octacoordinated Vanadium(IV) Complexes of Some Tetradentate ONNO Chelating Ligands from Various Oxovanadium(IV/V) Compounds and Structural Characterization of One of Them
• Authors of publication: Manas Sutradhar; Gurunath Mukherjee; Michael G. B. Drew; Saktiprosad Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 5069 - 5075
• a: 11.437 ± 0.012 Å
• b: 11.438 ± 0.012 Å
• c: 18.72 ± 0.019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2449 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 118
• Hermann-Mauguin space group symbol: P -4 n 2
• Hall space group symbol: P -4 -2n
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No