Information card for entry 4330164

Structure parameters

• Chemical name: [Chlorido-(3-methyl-D-prolinium-5-methyl-2-oxido-benzaldehyde- thiosemicarbazone)copper(II)]chloride
• Formula: C15 H20 Cl2 Cu N4 O3 S
• Calculated formula: C15 H20 Cl2 Cu N4 O3 S
• Title of publication: l- andd-Proline Thiosemicarbazone Conjugates: Coordination Behavior in Solution and the Effect of Copper(II) Coordination on Their Antiproliferative Activity
• Authors of publication: Miljan N. M. Milunovic; Éva A. Enyedy; Nóra V. Nagy; Tamás Kiss; Robert Trondl; Michael A. Jakupec; Bernhard K. Keppler; Regina Krachler; Ghenadie Novitchi; Vladimir B. Arion
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 9309 - 9321
• a: 7.313 ± 0.0003 Å
• b: 21.8734 ± 0.0008 Å
• c: 11.7535 ± 0.0005 Å
• α: 90°
• β: 99.423 ± 0.002°
• γ: 90°
• Cell volume: 1854.72 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No