Information card for entry 7115786

Structure parameters

• Common name: [Zn(Ni(pedt)2)2(O)2]
• Formula: C28 H20 N4 Ni2 O2 S8 Zn
• Calculated formula: C28 H20 N4 Ni2 O2 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: 27.525 ± 0.004 Å
• b: 27.525 ± 0.004 Å
• c: 24.215 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 15888 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor for all reflections: 0.1734
• Residual factor for significantly intense reflections: 0.1182
• Weighted residual factors for significantly intense reflections: 0.2825
• Weighted residual factors for all reflections included in the refinement: 0.2922
• Goodness-of-fit parameter for all reflections included in the refinement: 2.695
• Diffraction radiation wavelength: 0.71085 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No