Information card for entry 7705589

Structure parameters

• Formula: C26.5 H23.5 N7.5 O2.5 S2 V
• Calculated formula: C26.5 H23.5 N7.5 O2.5 S2 V
• 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: 13.9738 ± 0.0002 Å
• b: 14.3549 ± 0.0002 Å
• c: 27.3124 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5478.66 ± 0.14 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No