Information card for entry 7013729

Structure parameters

• Formula: C16 H21 N5 Ni O8
• Calculated formula: C16 H21 N5 Ni O8
• SMILES: [Ni]1234([n]5ccccc5C[N]1(Cc1cccc[n]21)CC[O]3CC[OH]4)ON(=O)=O.N(=O)(=O)[O-]
• Title of publication: Synthesis, structure and comparison of the DNA cleavage ability of metal complexes M(II)L with the N-(2-ethoxyethanol)-bis(2-picolyl)amine ligand L (M = Co, Ni, Cu and Zn).
• Authors of publication: Kirin, Srecko I.; Happel, Christoph M.; Hrubanova, Silvia; Weyhermuller, Thomas; Klein, Christoph; Metzler-Nolte, Nils
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 8
• Pages of publication: 1201 - 1207
• a: 9.0763 ± 0.0003 Å
• b: 9.0763 ± 0.0003 Å
• c: 20.7667 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1481.55 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.0219
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No