Information card for entry 7033303

Structure parameters

• Formula: C10 H19 N6 Ni O S3
• Calculated formula: C10 H19 N6 Ni O S3
• 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: 15.8598 ± 0.0003 Å
• b: 9.9515 ± 0.0002 Å
• c: 10.9722 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1731.73 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0252
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No