Information card for entry 7004136

Structure parameters

• Formula: C27 H24 Cu N6 O7
• Calculated formula: C27 H20 Cu N6 O7
• SMILES: [Cu]12([n]3cccc4c5c(c6ccc[n]1c6c34)nc1c(cccc1)n5)([NH2][C@H](C(=O)O2)Cc1ccccc1)[OH2].N(=O)(=O)[O-].O
• Title of publication: DNA cleavage in red light promoted by copper(ii) complexes of α-amino acids and photoactive phenanthroline bases
• Authors of publication: Patra, Ashis K.; Bhowmick, Tuhin; Ramakumar, Suryanarayanarao; Nethaji, Munirathinam; Chakravarty, Akhil R.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 48
• Pages of publication: 6966 - 6976
• a: 6.939 ± 0.002 Å
• b: 25.837 ± 0.008 Å
• c: 30.52 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5472 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.1671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No