Information card for entry 7705588

Structure parameters

• Formula: C26 H31 Cl N5 O5 V
• Calculated formula: C26 H31 Cl N5 O5 V
• SMILES: [V]1234(OC(=N[N]2=C(C)c2[n]3c(ccc2)C(=[N]4N=C(O1)c1ccccc1)C)c1ccccc1)([OH]C)[OH]C.[Cl-].OC
• Title of publication: The first pentagonal-bipyramidal vanadium(III) complexes with a Schiff-base N₃O₂ pentadentate ligand: synthesis, structure and magnetic properties.
• Authors of publication: Bazhenova, Tamara A.; Zorina, Leokadiya V.; Simonov, Sergey V.; Mironov, Vladimir S.; Maximova, Olga V.; Spillecke, Lena; Koo, Changhyun; Klingeler, Rüdiger; Manakin, Yuriy V.; Vasiliev, Alexander N.; Yagubskii, Eduard B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 43
• Pages of publication: 15287 - 15298
• a: 19.5934 ± 0.0003 Å
• b: 7.4977 ± 0.00008 Å
• c: 20.3843 ± 0.0003 Å
• α: 90°
• β: 112.382 ± 0.0018°
• γ: 90°
• Cell volume: 2768.97 ± 0.07 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No