Information card for entry 7017340

Structure parameters

• Formula: C46 H46 F12 Fe2 N6 P2 Zn
• Calculated formula: C46 H46 F12 Fe2 N6 P2 Zn
• SMILES: [P](F)(F)(F)(F)(F)[F-].[n]12ccccc2C[N]2(Cc3[n](cccc3)[Zn]3412[n]1ccccc1C[N]3(C[c]12[cH]3[cH]5[cH]6[cH]1[Fe]17892356[cH]2[cH]8[cH]9[cH]7[cH]12)Cc1cccc[n]41)C[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]7[cH]8[cH]6[cH]12.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Impact of metal on the DNA photocleavage activity and cytotoxicity of ferrocenyl terpyridine 3d metal complexes.
• Authors of publication: Maity, Basudev; Gadadhar, Sudarshan; Goswami, Tridib K.; Karande, Anjali A.; Chakravarty, Akhil R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 44
• Pages of publication: 11904 - 11913
• a: 21.776 ± 0.002 Å
• b: 11.5108 ± 0.0011 Å
• c: 19.0161 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4766.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.142
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.17
• Weighted residual factors for all reflections included in the refinement: 0.2071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No