Information card for entry 7719749

Structure parameters

• Formula: C22 H28 F6 N4 Ni O8 S2
• Calculated formula: C22 H28 F6 N4 Ni O8 S2
• Title of publication: Organometallic nickel NCN pincer complex promotes L-lactate racemization in water.
• Authors of publication: Dow, Thomas D.; Kuno-Williams, Derek R; Woods, Toby J.; Zhang, Yu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 45
• Pages of publication: 16857 - 16863
• a: 17.5572 ± 0.0009 Å
• b: 12.484 ± 0.0006 Å
• c: 26.1947 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5741.5 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0531
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No