Information card for entry 7033301

Structure parameters

• Formula: C14 H39 Cl3 N3 Ni O16 S4
• Calculated formula: C14 H39 Cl3 N3 Ni O16 S4
• SMILES: [Ni]1([NH2]CC[N]21CCNCC2)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)[O]=S(C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Nickel(ii) complexes with a flexible piperazinyl moiety: studies on DNA and protein binding and catecholase like properties.
• Authors of publication: Das, Mriganka; Nasani, Rajendar; Saha, Manideepa; Mobin, Shaikh M.; Mukhopadhyay, Suman
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 5
• Pages of publication: 2299 - 2310
• a: 10.2345 ± 0.0002 Å
• b: 11.2429 ± 0.0002 Å
• c: 14.6064 ± 0.0002 Å
• α: 90°
• β: 94.104 ± 0.001°
• γ: 90°
• Cell volume: 1676.38 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No