Information card for entry 7033302

Structure parameters

• Formula: C16 H21 Cl N3 Ni O5
• Calculated formula: C16 H21 Cl N3 Ni O5
• 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: 10.1342 ± 0.0002 Å
• b: 17.1147 ± 0.0003 Å
• c: 21.5781 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3742.59 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No