Information card for entry 7038297

Structure parameters

• Formula: C34 H14 F12 Hg3 N2 Ni O2
• Calculated formula: C34 H14 F12 Hg3 N2 Ni O2
• Title of publication: Supramolecular aggregation of Ni(salen) with (C6F5)2Hg and [o-C6F4Hg]3.
• Authors of publication: Tsunoda, Mitsukimi; Fleischmann, Martin; Jones, J. Stuart; Bhuvanesh, Nattamai; Scheer, Manfred; Gabbaï, François P
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 12
• Pages of publication: 5045 - 5051
• a: 13.6122 ± 0.0015 Å
• b: 22.596 ± 0.002 Å
• c: 12.2925 ± 0.0013 Å
• α: 90°
• β: 118.963 ± 0.001°
• γ: 90°
• Cell volume: 3308.1 ± 0.6 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.0524
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No