Information card for entry 7222357

Structure parameters

• Formula: C21 H27 N7 O S2 V
• Calculated formula: C21 H27 N7 O S2 V
• Title of publication: New oxovanadium(IV) complexes with pincer ligand obtained in situ: experimental and theoretical studies on the structure, spectroscopic properties and antitumour activity.
• Authors of publication: Adach, Anna; Daszkiewicz, Marek; Tyszka-Czochara, Małgorzata; Barszcz, Boleslaw
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 7.7159 ± 0.0007 Å
• b: 16.2503 ± 0.0012 Å
• c: 10.3876 ± 0.0008 Å
• α: 90°
• β: 103.466 ± 0.009°
• γ: 90°
• Cell volume: 1266.65 ± 0.18 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No