Information card for entry 4326101

Structure parameters

• Formula: C30 H27 Cl Cu N4 O7
• Calculated formula: C30 H25 Cl Cu N4 O7
• SMILES: [Cu]12(OC(=O)[C@@H]([NH]2Cc2ccccc2)Cc2c[nH]c3c2cccc3)([OH2])[n]2cccc3c2c2[n]1cccc2cc3.Cl(=O)(=O)(=O)[O-]
• Title of publication: Ferrocene-Conjugated l-Tryptophan Copper(II) Complexes of Phenanthroline Bases Showing DNA Photocleavage Activity and Cytotoxicity
• Authors of publication: Tridib K. Goswami; Balabhadrapatruni V. S. K. Chakravarthi; Mithun Roy; Anjali A. Karande; Akhil R. Chakravarty
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 8452 - 8464
• a: 10.9338 ± 0.0006 Å
• b: 12.0549 ± 0.0006 Å
• c: 22.5692 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2974.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No