Information card for entry 4339176

Structure parameters

• Formula: C34 H32 Cl2 N10 O11 Zn
• Calculated formula: C34 H29 Cl2 N10 O11 Zn
• SMILES: [Zn]12([n]3cccc4c5c(c6ccc[n]1c6c34)nccn5)([n]1cccc3c4c(c5ccc[n]2c5c13)nccn4)([O]=CN(C)C)[O]=CN(C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: New insights into the visible-light-induced DNA cleavage activity of dipyridoquinoxaline complexes of bivalent 3d-metal ions.
• Authors of publication: Roy, Mithun; Pathak, Biswarup; Patra, Ashis K.; Jemmis, Eluvathingal D.; Nethaji, Munirathinam; Chakravarty, Akhil R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 26
• Pages of publication: 11122 - 11132
• a: 13.6228 ± 0.0019 Å
• b: 13.612 ± 0.0019 Å
• c: 40.764 ± 0.006 Å
• α: 90°
• β: 98.331 ± 0.002°
• γ: 90°
• Cell volume: 7479.2 ± 1.8 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: 0.2185
• Residual factor for significantly intense reflections: 0.1113
• Weighted residual factors for significantly intense reflections: 0.2181
• Weighted residual factors for all reflections included in the refinement: 0.2662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No