Information card for entry 7703613

Structure parameters

• Formula: C28 H27 Cl2 Cu N5 O11
• Calculated formula: C28 H27 Cl2 Cu N5 O11
• SMILES: [Cu]12([n]3c(cc(cc3c3[n]1cccc3)c1cc(OC)c(OC)c(OC)c1)c1[n]2cccc1)(OCl(=O)(=O)=O)[n]1cn(cc1)C.Cl(=O)(=O)(=O)[O-]
• 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: 9.1079 ± 0.0004 Å
• b: 12.5746 ± 0.0004 Å
• c: 14.8504 ± 0.0007 Å
• α: 70.65 ± 0.004°
• β: 88.016 ± 0.004°
• γ: 73.255 ± 0.004°
• Cell volume: 1533.18 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0486
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No