Information card for entry 4066572

Structure parameters

• Formula: C45 H32 Cu F12 Fe N8 P2
• Calculated formula: C45 H29 Cu F12 Fe N8 P2
• SMILES: [Cu]123([n]4ccccc4c4[n]1c(cc(c4)[c]14[cH]5[Fe]6789%10%111([cH]4[cH]6[cH]57)[cH]1[cH]%11[cH]%10[cH]9[cH]81)c1[n]2cccc1)[n]1cccc2c1c1[n]3cccc1c1nc3ccccc3nc21.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].C(#N)C
• Title of publication: Ferrocene-Promoted Photoactivated DNA Cleavage and Anticancer Activity of Terpyridyl Copper(II) Phenanthroline Complexes
• Authors of publication: Maity, Basudev; Roy, Mithun; Banik, Bhabatosh; Majumdar, Ritankar; Dighe, Rajan R.; Chakravarty, Akhil R.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 16
• Pages of publication: 3632
• a: 12.397 ± 0.0009 Å
• b: 12.7771 ± 0.001 Å
• c: 15.3816 ± 0.0011 Å
• α: 66.581 ± 0.004°
• β: 87.76 ± 0.004°
• γ: 85.033 ± 0.004°
• Cell volume: 2227.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1182
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No