Information card for entry 7053889

Structure parameters

• Formula: C21 H17 Cl N4 O
• Calculated formula: C21 H17 Cl N4 O
• SMILES: Clc1ccc(c2nc3c(c4c(nccc4)c4ncccc34)[nH]2)cc1.OCC
• Title of publication: Two polypyridyl copper(ii) complexes: synthesis, crystal structure and interaction with DNA and serum protein in vitro
• Authors of publication: Zhao, Xiao-Fei; Ouyang, Yan; Liu, Yan-Zhao; Su, Qiao-Juan; Tian, He; Xie, Cheng-Zhi; Xu, Jing-Yuan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 3
• Pages of publication: 955
• a: 9.921 ± 0.002 Å
• b: 11.098 ± 0.002 Å
• c: 17.289 ± 0.004 Å
• α: 90°
• β: 97.5 ± 0.03°
• γ: 90°
• Cell volume: 1887.3 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1255
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No