Information card for entry 7028310

Structure parameters

• Formula: C24 H41 N6 Ni2 O5.5 S2
• Calculated formula: C24 H40 N6 Ni2 O5.5 S2
• Title of publication: A radical pathway in catecholase activity with nickel(II) complexes of phenol based "end-off" compartmental ligands.
• Authors of publication: Ghosh, Totan; Adhikary, Jaydeep; Chakraborty, Prateeti; Sukul, Pradip K.; Jana, Mahendra Sekhar; Mondal, Tapan Kumar; Zangrando, Ennio; Das, Debasis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 2
• Pages of publication: 841 - 852
• a: 24.8159 ± 0.0006 Å
• b: 11.8267 ± 0.0003 Å
• c: 22.4601 ± 0.0006 Å
• α: 90°
• β: 90.965 ± 0.002°
• γ: 90°
• Cell volume: 6590.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1079
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.1833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No