Information card for entry 4068690

Structure parameters

• Formula: C33 H33 Cu F12 Fe N5 O P2
• Calculated formula: C33 H31 Cu F12 Fe N5 O P2
• SMILES: [Cu]123([n]4ccccc4c4[n]1cccc4)[n]1ccccc1C[N]3(Cc1[n]2cccc1)C[c]12[cH]3[Fe]4567891([cH]2[cH]4[cH]35)[cH]1[cH]6[cH]7[cH]8[cH]91.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O
• Title of publication: Photoinduced DNA and Protein Cleavage Activity of Ferrocene-Conjugated Ternary Copper(II) Complexes
• Authors of publication: Maity, Basudev; Roy, Mithun; Saha, Sounik; Chakravarty, Akhil R.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 5
• Pages of publication: 1495
• a: 9.093 ± 0.002 Å
• b: 11.438 ± 0.003 Å
• c: 18.614 ± 0.005 Å
• α: 105.532 ± 0.017°
• β: 91.927 ± 0.015°
• γ: 93.493 ± 0.017°
• Cell volume: 1859.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0952
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1438
• Weighted residual factors for all reflections included in the refinement: 0.1679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No