Information card for entry 7022762

Structure parameters

• Formula: C17 H17 Cl Cu N3 O2
• Calculated formula: C17 H17 Cl Cu N3 O2
• SMILES: [Cu]12(Cl)[N](=Cc3c(O2)ccc(c3)C)CCc2[nH]c3ccccc3[n]12.O
• 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: 7.087 ± 0.003 Å
• b: 15.617 ± 0.007 Å
• c: 15.156 ± 0.007 Å
• α: 90°
• β: 101.024 ± 0.008°
• γ: 90°
• Cell volume: 1646.5 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0912
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.1767
• Weighted residual factors for all reflections included in the refinement: 0.1861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No