Information card for entry 7052020

Structure parameters

• Formula: C32 H22 Cl4 Cu2 N6 O4
• Calculated formula: C32 H22 Cl4 Cu2 N6 O4
• SMILES: c1cccc2[n]1[Cu]1([n]3c(c4c(n23)c2ccccc2OC4=O)C)(Cl)[Cl][Cu]2([n]3c(c4c(n3c3cccc[n]23)c2ccccc2OC4=O)C)(Cl)[Cl]1
• Title of publication: Synthesis, crystal structure, theoretical calculation and cytotoxic effect of new Pt(ii), Pd(ii) and Cu(ii) complexes with pyridine-pyrazoles derivatives
• Authors of publication: Budzisz, Elzbieta; Lorenz, Ingo-Peter; Mayer, Peter; Paneth, Piotr; Szatkowski, Lukasz; Krajewska, Urszula; Rozalski, Marek; Miernicka, Magdalena
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 12
• Pages of publication: 2238
• a: 8.4188 ± 0.0004 Å
• b: 9.2762 ± 0.0004 Å
• c: 10.6495 ± 0.0005 Å
• α: 83.019 ± 0.002°
• β: 87.266 ± 0.002°
• γ: 70.3459 ± 0.0016°
• Cell volume: 777.39 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0589
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No