Information card for entry 7716564

Structure parameters

• Formula: C42 H50 N2 Ni2 O2 S2
• Calculated formula: C42 H50 N2 Ni2 O2 S2
• Title of publication: Terminal {Ni(II)-SH} complex promoted anaerobic catalytic sulfur atom transfer reaction: implication to the sulfide oxidase function of Cu/Zn-superoxide dismutase.
• Authors of publication: Bag, Jayanta; Das, Surajit; Pal, Kuntal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 30
• Pages of publication: 12773 - 12782
• a: 21.803 ± 0.006 Å
• b: 21.803 ± 0.006 Å
• c: 50.5 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 20790 ± 9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1187
• Residual factor for significantly intense reflections: 0.0857
• Weighted residual factors for significantly intense reflections: 0.2122
• Weighted residual factors for all reflections included in the refinement: 0.2425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No