Information card for entry 2008780

Structure parameters

• Chemical name: Bis [bis(triphenylphosphoranylidene)ammonium] μ-tetrathiaoxalato-bis[(1,3-dithiol-2-thione-4,5-dithiolato)nickelate(II)]
• Formula: C80 H60 N2 Ni2 P4 S14
• Calculated formula: C80 H60 N2 Ni2 P4 S14
• SMILES: C12=C(S[Ni]3(S2)SC2=C(S3)S[Ni]3(SC4=C(S3)SC(=S)S4)S2)SC(=S)S1.N(=P(c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.N(=P(c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Bis[bis(triphenylphosphoranylidene)ammonium] μ-tetrathiaoxalato-bis[(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(II)]
• Authors of publication: Geiser, Urs; Mercuri, Maria Laura; Parakka, James P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 1253 - 1255
• a: 9.6507 ± 0.0002 Å
• b: 14.277 ± 0.0003 Å
• c: 15.0369 ± 0.0004 Å
• α: 75.17 ± 0.001°
• β: 82.067 ± 0.001°
• γ: 83.358 ± 0.001°
• Cell volume: 1976.65 ± 0.08 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 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: 0.095
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No