Information card for entry 7042519

Structure parameters

• Formula: C12 H12 Cl2 N4 Zn
• Calculated formula: C12 H12 Cl2 N4 Zn
• SMILES: [Zn]12(Cl)(Cl)[n]3c(N[N]1=C(c1[n]2cccc1)C)cccc3
• Title of publication: Structurally related hydrazone-based metal complexes with different antitumor activities variably induce apoptotic cell death.
• Authors of publication: Megger, Dominik A.; Rosowski, Kristin; Radunsky, Christian; Kösters, Jutta; Sitek, Barbara; Müller, Jens
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 4759 - 4767
• a: 18.739 ± 0.003 Å
• b: 7.8233 ± 0.0012 Å
• c: 18.969 ± 0.003 Å
• α: 90°
• β: 98.87 ± 0.005°
• γ: 90°
• Cell volume: 2747.6 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1377
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No