Information card for entry 2001273

Structure parameters

• Formula: C20 H18 N4 Ni O2 S2
• Calculated formula: C20 H18 N4 Ni O2 S2
• Title of publication: A comparison of the inner coordination spheres of a series of nickel(II) macrocyclic imine ethers
• Authors of publication: Macchia, D. J.; Furey, Jnr, W. F.; Lalancette, R. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 10
• Pages of publication: 1706 - 1713
• a: 8.775 ± 0.002 Å
• b: 18.848 ± 0.009 Å
• c: 25.185 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4165 ± 3 ų
• Cell temperature: 295 ± 1 K
• Number of distinct elements: 6
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.083
• Goodness-of-fit parameter for significantly intense reflections: 1.25
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No