Information card for entry 4101057

Structure parameters

• Formula: C13 H13 Cl Cu N2 O2
• Calculated formula: C13 H13 Cl Cu N2 O2
• SMILES: [Cu]12([N](=Cc3[n]2cccc3)c2c(O1)ccc(c2)C)Cl.O
• Title of publication: The Square-planar [CuII(pyrimol)Cl] complex acts as an efficient cytotoxic DNA
• Authors of publication: Patrick Gamez
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 6.771 ± 0.0001 Å
• b: 8.8023 ± 0.0002 Å
• c: 12.3546 ± 0.0002 Å
• α: 99.618 ± 0.001°
• β: 101.246 ± 0.001°
• γ: 109.982 ± 0.001°
• Cell volume: 656.54 ± 0.02 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No