Information card for entry 7022946

Structure parameters

• Formula: C13 H14 Cl Cu N3 O2 S
• Calculated formula: C13 H14 Cl Cu N3 O2 S
• SMILES: [Cu]12([n]3c(C(C)=[N]1N=C(c1sccc1)O2)cccc3)(Cl)[OH]C
• Title of publication: Potentially cytotoxic new copper(II) hydrazone complexes: synthesis, crystal structure and biological properties.
• Authors of publication: Alagesan, Mani; Bhuvanesh, Nattamai S. P.; Dharmaraj, Nallasamy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 19
• Pages of publication: 7210 - 7223
• a: 7.1463 ± 0.0007 Å
• b: 11.4225 ± 0.0011 Å
• c: 18.1483 ± 0.0018 Å
• α: 90°
• β: 99.366 ± 0.007°
• γ: 90°
• Cell volume: 1461.7 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No