Information card for entry 4341624

Structure parameters

• Formula: C14 H19 N5 O3 S Zn
• Calculated formula: C14 H19 N5 O3 S Zn
• Title of publication: Effects of Terminal Dimethylation and Metal Coordination of Proline-2-formylpyridine Thiosemicarbazone Hybrids on Lipophilicity, Antiproliferative Activity, and hR2 RNR Inhibition.
• Authors of publication: Bacher, Felix; Dömötör, Orsolya; Kaltenbrunner, Maria; Mojović, Miloš; Popović-Bijelić, Ana; Gräslund, Astrid; Ozarowski, Andrew; Filipovic, Lana; Radulović, Sinisa; Enyedy, Eva A.; Arion, Vladimir B.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141112160101001
• a: 8.2454 ± 0.0004 Å
• b: 11.8012 ± 0.0006 Å
• c: 16.8293 ± 0.0007 Å
• α: 90°
• β: 93.338 ± 0.003°
• γ: 90°
• Cell volume: 1634.81 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No