Information card for entry 7008034

Structure parameters

• Formula: C36 H36 F18 Fe N9 O2 P3
• Calculated formula: C36 H36 F18 Fe N9 O2 P3
• SMILES: [Fe]1234([NH]5C[C@@H](O[C@@H]5c5[n]3cccc5)C[N]2=Cc2[n]1cccc2)[n]1ccccc1C=[N]4C[C@H](O)Cn1cc2[n+](cccc2)c1c1ncccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[Fe]1234([NH]5C[C@H](O[C@H]5c5[n]3cccc5)C[N]2=Cc2[n]1cccc2)[n]1ccccc1C=[N]4C[C@@H](O)Cn1cc2[n+](cccc2)c1c1ncccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Ternary iron(II) complex with an emissive imidazopyridine arm from Schiff base cyclizations and its oxidative DNA cleavage activity.
• Authors of publication: Mukherjee, Arindam; Dhar, Shanta; Nethaji, Munirathinam; Chakravarty, Akhil R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 2
• Pages of publication: 349 - 353
• a: 9.449 ± 0.005 Å
• b: 15.793 ± 0.008 Å
• c: 17.694 ± 0.009 Å
• α: 108.047 ± 0.008°
• β: 102.452 ± 0.009°
• γ: 107.097 ± 0.008°
• Cell volume: 2259 ± 2 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: 0.1856
• Residual factor for significantly intense reflections: 0.0929
• Weighted residual factors for significantly intense reflections: 0.2076
• Weighted residual factors for all reflections included in the refinement: 0.2557
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No