Information card for entry 4341486

Structure parameters

• Formula: C38 H36 N12 Ni2 O14
• Calculated formula: C38 H36 N12 Ni2 O14
• SMILES: [Ni]12345[N](CC[NH]6[Ni]78([N](CC6)=Cc6cc(N(=O)=O)ccc6O7)([O]4c4c(C=[N]2CCN(N(=O)=O)CC[N]1=Cc1cc(N(=O)=O)ccc1[O]58)cc(N(=O)=O)cc4)[N]#CC)=Cc1cc(N(=O)=O)ccc1O3
• Title of publication: Comparative DNA Binding Abilities and Phosphatase-Like Activities of Mono-, Di-, and Trinuclear Ni(II) Complexes: The Influence of Ligand Denticity, Metal-Metal Distance, and Coordinating Solvent/Anion on Kinetics Studies.
• Authors of publication: Bhardwaj, Vimal K.; Singh, Ajnesh
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 10731 - 10742
• a: 10.282 ± 0.0005 Å
• b: 11.0297 ± 0.0006 Å
• c: 19.1468 ± 0.001 Å
• α: 99.617 ± 0.002°
• β: 101.878 ± 0.003°
• γ: 98.525 ± 0.003°
• Cell volume: 2057.16 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2017
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.1807
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No