Information card for entry 7021612

Structure parameters

• Formula: C30 H22 N3 O3 V
• Calculated formula: C30 H22 N3 O3 V
• SMILES: [V]123(Oc4c([N]3(c3c(O1)cccc3)c1c(O2)cccc1)cccc4)=NN(c1ccccc1)c1ccccc1
• Title of publication: Synthesis of vanadium(v) hydrazido complexes with tris(2-hydroxyphenyl)amine ligands.
• Authors of publication: Moriuchi, Toshiyuki; Ikeuchi, Kousuke; Hirao, Toshikazu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 33
• Pages of publication: 11824 - 11830
• a: 20.72 ± 0.0015 Å
• b: 9.1557 ± 0.0006 Å
• c: 25.6467 ± 0.0018 Å
• α: 90°
• β: 99.487 ± 0.002°
• γ: 90°
• Cell volume: 4798.8 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.1421
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.1766
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No