Information card for entry 4338936

Structure parameters

• Formula: C18 H27 Cl2 Cu N6 O4.5
• Calculated formula: C18 H22 Cl2 Cu N6 O4.5
• SMILES: [Cu]12(Cl)([n]3cccc4ccc5ccc[n]1c5c34)[NH2][C@@H](C(=O)O2)CCCNC(=[NH2+])N.[Cl-].O.O.O
• Title of publication: Metal-based netropsin mimics showing AT-selective DNA binding and DNA cleavage activity at red light.
• Authors of publication: Patra, Ashis K.; Bhowmick, Tuhin; Ramakumar, Suryanarayanarao; Chakravarty, Akhil R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 22
• Pages of publication: 9030 - 9032
• a: 10.359 ± 0.006 Å
• b: 12.437 ± 0.007 Å
• c: 18.888 ± 0.011 Å
• α: 94.599 ± 0.009°
• β: 104.701 ± 0.009°
• γ: 101.002 ± 0.009°
• Cell volume: 2289 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No