Information card for entry 2203891

Structure parameters

• Formula: C22 H14 F N6 Ni S4
• Calculated formula: C22 H14 F N6 Ni S4
• Title of publication: 1-(3-Fluorobenzyl)pyridinium bis(maleonitriledithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(III) acetonitrile solvate
• Authors of publication: Hui Zhang; XiaoMing Ren; Jingli Xie; Yizhi Li; Qingjin Meng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: m960 - m962
• a: 28.961 ± 0.006 Å
• b: 4.2874 ± 0.0009 Å
• c: 20.788 ± 0.004 Å
• α: 90°
• β: 96.53 ± 0.03°
• γ: 90°
• Cell volume: 2564.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes