Information card for entry 4129036

Structure parameters

• Common name: CuNipdt2_act
• Formula: C8 H4 Cu N4 Ni S4
• Calculated formula: C8 H4 Cu N4 Ni S4
• Title of publication: Chemiresistive Detection of Gaseous Hydrocarbons and Interrogation of Charge Transport in Cu[Ni(2,3-pyrazinedithiolate)₂] by Gas Adsorption.
• Authors of publication: Aubrey, Michael L.; Kapelewski, Matthew T.; Melville, Jonathan F.; Oktawiec, Julia; Presti, Davide; Gagliardi, Laura; Long, Jeffrey R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 12
• Pages of publication: 5005 - 5013
• a: 6.8132 ± 0.001 Å
• b: 6.8132 ± 0.001 Å
• c: 16.166 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 750.4 ± 0.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 131
• Hermann-Mauguin space group symbol: P 42/m m c
• Hall space group symbol: -P 4c 2
• Residual factor R(I) for significantly intense reflections: 0.042
• Goodness-of-fit parameter for all reflections: 3.55
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.45212 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No