Information card for entry 2230188

Structure parameters

• Chemical name: 1-(2-Fluorobenzyl)quinolinium bis(2-sulfanylidene-1,3-dithiole-4,5-dithiolato-κ^2^<i>S</i>,<i>S</i>')\ nickelate(III)
• Formula: C22 H13 F N Ni S10
• Calculated formula: C22 H13 F N Ni S10
• SMILES: [Ni]12(SC3=C(SC(=S)S3)S1)SC1=C(S2)SC(=S)S1.c1(ccccc1C[n+]1cccc2ccccc12)F
• Title of publication: 1-(2-Fluorobenzyl)quinolinium bis(2-sulfanylidene-1,3-dithiole-4,5-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(III)
• Authors of publication: Shan, Wen-Wen; Zhang, Peng; Hu, Xi-Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m634
• a: 8.74 ± 0.003 Å
• b: 12.464 ± 0.004 Å
• c: 12.464 ± 0.004 Å
• α: 76.103 ± 0.004°
• β: 81.491 ± 0.006°
• γ: 81.491 ± 0.006°
• Cell volume: 1294.6 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction 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 all reflections: 0.0849
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes