Information card for entry 4312023

Structure parameters

• Formula: C36 H18 Fe N Ni3 S30
• Calculated formula: C36 H18 Fe N Ni3 S30
• Title of publication: New 1:3 Type Nickel-Bis(dithiolene) Salt (FcCHCHPymCH3)[Ni(dmit)2]3 (dmit: 2-Thioxo-1,3-dithiole-4,5-dithiolate): Its Electrocrystallization, Crystal Structure, Electrical Properties, and Electronic Band Structure Analysis
• Authors of publication: Yoon-Kyoung Han; Dong-Kyun Seo; Haeyong Kang; Woun Kang; Dong-Youn Noh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7294 - 7300
• a: 11.43 ± 0.005 Å
• b: 13.349 ± 0.002 Å
• c: 19.355 ± 0.006 Å
• α: 75.15 ± 0.02°
• β: 79.19 ± 0.03°
• γ: 82.12 ± 0.02°
• Cell volume: 2791.5 ± 1.6 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: 0.0796
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No