Information card for entry 4310501

Structure parameters

• Formula: C32 H44 N Ni O4 S12
• Calculated formula: C31.98 H43.96 N Ni O4 S12
• Title of publication: Syntheses, Structures, and Physical Properties of Nickel Bis(dithiolene) Complexes Containing Tetrathiafulvalene (TTF) Units
• Authors of publication: Emiko Fujiwara; Akiko Kobayashi; Hideki Fujiwara; Hayao Kobayashi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1122 - 1129
• a: 18.406 ± 0.001 Å
• b: 9.8418 ± 0.0005 Å
• c: 23.444 ± 0.002 Å
• α: 90°
• β: 101.28 ± 0.004°
• γ: 90°
• Cell volume: 4164.8 ± 0.5 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.777
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No