Information card for entry 7705587

Structure parameters

• Formula: C25 H27 Cl3 N5 O3 V
• Calculated formula: C25 H27 Cl3 N5 O3 V
• SMILES: [V]1234(Cl)(Cl)[N](=C(C)c5cccc(C(C)=[N]2NC(c2ccccc2)=[O]4)[n]15)NC(c1ccccc1)=[O]3.[Cl-].CCO
• 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: 7.29023 ± 0.00008 Å
• b: 15.38948 ± 0.00019 Å
• c: 22.8617 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2564.92 ± 0.05 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: 0.032
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No