Information card for entry 4326100

Structure parameters

• Formula: C32 H31 Cl Cu Fe N4 O7
• Calculated formula: C32 H31 Cl Cu Fe N4 O7
• SMILES: [Cu]12([n]3c(c4[n]2cccc4)cccc3)[NH](C[c]23[cH]4[Fe]56789%102([cH]4[cH]7[cH]35)[cH]2[cH]8[cH]6[cH]9[cH]%102)[C@@H](Cc2c[nH]c3ccccc23)C(=O)O1.Cl(=O)(=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: 9.665 ± 0.003 Å
• b: 14.257 ± 0.004 Å
• c: 22.127 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3049 ± 1.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• 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: 0.045
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No