Information card for entry 7704643

Structure parameters

• Formula: C16 H26 Cl2 Cu N6 O8
• Calculated formula: C16 H26 Cl2 Cu N6 O8
• SMILES: [Cu]123([n]4c(c5[n]1cccc5)cccc4)[NH](CC[NH2]3)CC[NH]2CCN.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Octahedral copper(ii)-diimine complexes of triethylenetetramine: effect of stereochemical fluxionality and ligand hydrophobicity on Cu^II/Cu^I redox, DNA binding and cleavage, cytotoxicity and apoptosis-inducing ability.
• Authors of publication: Sharma, Mitu; Ganeshpandian, Mani; Majumder, Munmi; Tamilarasan, Ajaykamal; Sharma, Mukesh; Mukhopadhyay, Rupak; Islam, Nashreen S.; Palaniandavar, Mallayan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 24
• Pages of publication: 8282 - 8297
• a: 11.562 ± 0.003 Å
• b: 14.067 ± 0.004 Å
• c: 13.652 ± 0.004 Å
• α: 90°
• β: 91.83 ± 0.004°
• γ: 90°
• Cell volume: 2219.3 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0654
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1806
• Weighted residual factors for all reflections included in the refinement: 0.1902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No