Information card for entry 4323669

Structure parameters

• Chemical name: [Me3HN][Ni(dmise)2]2
• Formula: C15 H10 N Ni2 S16 Se4
• Calculated formula: C16 N2 S18 Se4
• Title of publication: Enhancement of the Dimensionality of Molecular π Conductors by the Selone Substitution of M(dmit)2 (M = Ni, Pd) Systems: Newly Synthesized dmise Compounds [MexH4-xN][Ni(dmise)2]2 (x= 1-3) and Cs[Pd(dmise)2]2 (dmise = 4,5-Dimercapto-1,3-dithiole-2-selone)
• Authors of publication: Akane Sato; Hayao Kobayashi; Toshio Naito; Fumiko Sakai; Akiko Kobayashi
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 5262 - 5269
• a: 7.606 ± 0.003 Å
• b: 17.761 ± 0.003 Å
• c: 6.66 ± 0.002 Å
• α: 100.27 ± 0.02°
• β: 114.93 ± 0.02°
• γ: 81.84 ± 0.02°
• Cell volume: 800.5 ± 0.4 ų
• Cell temperature: 296.2 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 significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.022
• Goodness-of-fit parameter for all reflections included in the refinement: 2.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No