Information card for entry 7703614

Structure parameters

• Formula: C50 H45 Cl2 Cu N7 O14
• Calculated formula: C50 H45 Cl2 Cu N7 O14
• SMILES: [Cu]1234([n]5c(cc(c6cc(OC)c(OC)c(OC)c6)cc5c5[n]3cccc5)c3[n]2cccc3)[n]2c(c3[n]1cccc3)cc(c1cc(OC)c(OC)c(OC)c1)cc2c1[n]4cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CC
• 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: 9.6483 ± 0.0004 Å
• b: 12.9618 ± 0.0006 Å
• c: 20.917 ± 0.0009 Å
• α: 91.46 ± 0.003°
• β: 100.086 ± 0.003°
• γ: 107.065 ± 0.003°
• Cell volume: 2453.82 ± 0.19 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: 0.086
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.1962
• Weighted residual factors for all reflections included in the refinement: 0.2029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No