Information card for entry 7017339

Structure parameters

• Formula: C42 H30 Cl2 N6 O8 Zn
• Calculated formula: C42 H30 Cl2 N6 O8 Zn
• SMILES: [Zn]1234([n]5c(c6[n]1c(c1[n]2cccc1)cc(c6)c1ccccc1)cccc5)[n]1ccccc1c1[n]3c(cc(c1)c1ccccc1)c1[n]4cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• 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: 9.5145 ± 0.0003 Å
• b: 12.8131 ± 0.0005 Å
• c: 31.5604 ± 0.0012 Å
• α: 90°
• β: 97.368 ± 0.002°
• γ: 90°
• Cell volume: 3815.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1007
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1766
• Weighted residual factors for all reflections included in the refinement: 0.2005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No