Information card for entry 7024942

Structure parameters

• Formula: C22 H30 Cl2 N4 Ni2 O18
• Calculated formula: C22 H30 Cl2 N4 Ni2 O18
• Title of publication: Structural, electrochemical, phosphate-hydrolysis, DNA binding and cleavage studies of new macrocyclic binuclear nickel(II) complexes.
• Authors of publication: Anbu, Sellamuthu; Kandaswamy, Muthusamy; Varghese, Babu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 16
• Pages of publication: 3823 - 3832
• a: 8.978 ± 0.002 Å
• b: 12.042 ± 0.002 Å
• c: 14.186 ± 0.002 Å
• α: 90 ± 0.005°
• β: 90.981 ± 0.01°
• γ: 90 ± 0.005°
• Cell volume: 1533.5 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No