Information card for entry 7022761

Structure parameters

• Formula: C18 H17 Cl Cu N4 O
• Calculated formula: C18 H17 Cl Cu N4 O
• SMILES: [Cu]12(Cl)Oc3ccccc3C=[N]1CCc1[n]2c2c([nH]1)cccc2.N#CC
• Title of publication: Copper(II) complexes with 2NO and 3N donor ligands: synthesis, structures and chemical nuclease and anticancer activities.
• Authors of publication: Rajarajeswari, Chandrasekaran; Loganathan, Rangasamy; Palaniandavar, Mallayan; Suresh, Eringathodi; Riyasdeen, Anvarbatcha; Akbarsha, Mohamad Abdulkadhar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 23
• Pages of publication: 8347 - 8363
• a: 8.1634 ± 0.001 Å
• b: 10.2365 ± 0.0013 Å
• c: 11.6844 ± 0.0015 Å
• α: 108.091 ± 0.002°
• β: 108.147 ± 0.002°
• γ: 92.647 ± 0.002°
• Cell volume: 870.86 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0686
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No