Information card for entry 7033300

Structure parameters

• Formula: C11 H20 Cl N3 Ni O5
• Calculated formula: C11 H20 Cl N3 Ni O5
• SMILES: [Ni]123[N](=C(C=C(O1)C)C)CC[N]12CC[NH]3CC1.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: 7.6658 ± 0.0003 Å
• b: 10.5251 ± 0.0006 Å
• c: 18.754 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1513.13 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No