Information card for entry 7203676

Structure parameters

• Common name: penta(bis(ethylenedioxo)tetrathiafulvalene) tetracyano-nickel ethylene glycol solvate
• Formula: C30 H29 N2 Ni0.5 O13 S10
• Calculated formula: C30 H20 N2 Ni0.5 O13 S10
• 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: 17.542 ± 0.004 Å
• b: 10.415 ± 0.002 Å
• c: 10.928 ± 0.002 Å
• α: 71.94 ± 0.03°
• β: 84.4 ± 0.03°
• γ: 88.88 ± 0.03°
• Cell volume: 1889 ± 0.7 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: 0.127
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1864
• Weighted residual factors for all reflections included in the refinement: 0.2099
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No