Information card for entry 7703612

Structure parameters

• Formula: C38 H32 Cl2 Cu N6 O11
• Calculated formula: C38 H32 Cl2 Cu N6 O11
• SMILES: [Cu]123([n]4c5c(ccc6ccc[n]1c56)ccc4)[n]1c(cc(cc1c1[n]3cccc1)c1cc(OC)c(OC)c(OC)c1)c1[n]2cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].CC#N
• Title of publication: Homo- and heteroleptic trimethoxy terpyridine-Cu(ii) complexes: synthesis, characterization, DNA/BSA binding, DNA cleavage and cytotoxicity studies.
• Authors of publication: Jain, Surbhi; Bhar, Kishalay; Kumar, Sandeep; Bandyopadhyaya, Shreetama; Tapryal, Suman; Mandal, Chandi C.; Sharma, Anuj K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 13
• Pages of publication: 4100 - 4113
• a: 19.078 ± 0.005 Å
• b: 12.031 ± 0.003 Å
• c: 17.935 ± 0.004 Å
• α: 90°
• β: 113.406 ± 0.012°
• γ: 90°
• Cell volume: 3777.8 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0989
• Residual factor for significantly intense reflections: 0.0825
• Weighted residual factors for significantly intense reflections: 0.2189
• Weighted residual factors for all reflections included in the refinement: 0.2326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No