Information card for entry 7115787

Structure parameters

• Common name: [Zn(Ni(pedt)2)2(dmf)].2dmf
• Formula: C40 H48 N8 Ni2 O4 S8 Zn
• Calculated formula: C40 H48 N8 Ni2 O4 S8 Zn
• Title of publication: Highly unusual interpenetration isomers of electroactive nickel bis(dithiolene) coordination frameworks
• Authors of publication: Thomas B. Faust; Pavel M. Usov; Deanna M. D'Alessandro; Cameron J. Kepert
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 12772
• a: 15.35 ± 0.002 Å
• b: 22.346 ± 0.002 Å
• c: 15.4658 ± 0.0017 Å
• α: 90°
• β: 107.269 ± 0.007°
• γ: 90°
• Cell volume: 5065.8 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No