Information card for entry 4341623

Structure parameters

• Formula: C15 H21 Cu N5 O3 S
• Calculated formula: C15 H21 Cu N5 O3 S
• SMILES: [Cu]1234SC(=N[N]3=Cc3[n]2c(ccc3)C[N]24CCC[C@H]2C(=O)O1)N(C)C.O
• 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: 6.6987 ± 0.0007 Å
• b: 13.3713 ± 0.0018 Å
• c: 18.755 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1679.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0196
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.0522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No