Information card for entry 7203675

Structure parameters

• Common name: tetra(bis(ethylenedioxo)tetrathiafulvalene) tetracyano-nickel acetonitrile solvate
• Formula: C26 H22 N4 Ni0.5 O8 S8
• Calculated formula: C26 H16 N4 Ni0.5 O8 S8
• Title of publication: New molecular metals based on BEDO radical cation salts with the square planar Ni(CN)42? anion
• Authors of publication: Dubrovskii, Alexander D.; Spitsina, Nataliya G.; Buravov, Lev I.; Shilov, Gennadii V.; Dyachenko, Oleg A.; Yagubskii, Eduard B.; Laukhin, Vladimir N.; Canadell, Enric
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2005
• Pages of publication: 1248 - 1254
• a: 7.127 ± 0.001 Å
• b: 19.098 ± 0.004 Å
• c: 12.535 ± 0.003 Å
• α: 87.03 ± 0.03°
• β: 71.53 ± 0.03°
• γ: 87.7 ± 0.03°
• Cell volume: 1615.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1958
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1832
• Weighted residual factors for all reflections included in the refinement: 0.2091
• Goodness-of-fit parameter for all reflections included in the refinement: 0.842
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No