Information card for entry 7220761

Structure parameters

• Formula: C22 H29 Cl2 Cu2 N5 O7
• Calculated formula: C22 H29 Cl2 Cu2 N5 O7
• SMILES: [Cu]123Oc4c([N]1=C1C(O[Cu]5(O1)([OH2])[n]1ccccc1c1cccc[n]51)=[N]2CCC[NH]3C)cc(Cl)cc4.[Cl-].O.O.O
• Title of publication: Synthesis and structure of new dicopper(ii) complexes bridged by asymmetric N,N′-bis(substituted)oxamides: in vitro anticancer activity and molecular docking studies based on bio-macromolecular interaction
• Authors of publication: Zheng, Kang; Jiang, Liu; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei
• Journal of publication: RSC Adv.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 64
• Pages of publication: 51730
• a: 10.9647 ± 0.0008 Å
• b: 11.4494 ± 0.0009 Å
• c: 11.6578 ± 0.0009 Å
• α: 85.912 ± 0.001°
• β: 74.68 ± 0.001°
• γ: 71.026 ± 0.001°
• Cell volume: 1334.64 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0714
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No