Information card for entry 4341622

Structure parameters

• Formula: C32.88 H49.5 N10 Ni2 O6.88 S2
• Calculated formula: C32.875 H41.5 N10 Ni2 O6.875 S2
• 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: 11.7885 ± 0.0013 Å
• b: 11.8487 ± 0.0013 Å
• c: 55.473 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7748.4 ± 1.5 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: 0.0459
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No