Information card for entry 7706461

Structure parameters

• Formula: C36 H40 N6 Ni3 O10 S2
• Calculated formula: C36 H40 N6 Ni3 O10 S2
• Title of publication: A trinuclear nickel(II) Schiff base complex with phenoxido- and acetato-bridges: combined experimental and theoretical magneto-structural correlation.
• Authors of publication: Thakurta, Santarupa; Maiti, Monami; Butcher, Ray J.; Gómez-García, Carlos J; Tsaturyan, Arshak A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 6
• Pages of publication: 2200 - 2209
• a: 20.7493 ± 0.0004 Å
• b: 9.4763 ± 0.0002 Å
• c: 20.3286 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3997.14 ± 0.14 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No