Information card for entry 4345322

Structure parameters

• Formula: C18 H24 Cu2 N4 O6 S
• Calculated formula: C18 H24 Cu2 N4 O6 S
• SMILES: [Cu]123[N](N=C(S2)N(C)C)=Cc2c4[O]3[Cu]3(OC(=O)C[N]3(Cc4cc(c2)C)CC(=O)OC)[O]1C
• Title of publication: New Iminodiacetate-Thiosemicarbazone Hybrids and Their Copper(II) Complexes Are Potential Ribonucleotide Reductase R2 Inhibitors with High Antiproliferative Activity.
• Authors of publication: Zaltariov, Mirela F.; Hammerstad, Marta; Arabshahi, Homayon J.; Jovanović, Katarina; Richter, Klaus W.; Cazacu, Maria; Shova, Sergiu; Balan, Mihaela; Andersen, Niels H.; Radulović, Siniša; Reynisson, Jóhannes; Andersson, K. Kristoffer; Arion, Vladimir B.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 3532 - 3549
• a: 9.7639 ± 0.0003 Å
• b: 10.2022 ± 0.0003 Å
• c: 11.8106 ± 0.0004 Å
• α: 73.2957 ± 0.0013°
• β: 77.356 ± 0.0014°
• γ: 80.2248 ± 0.0013°
• Cell volume: 1092.31 ± 0.06 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No