Information card for entry 2217349

Structure parameters

• Chemical name: Bis(tetraphenylphosphonium) bis[<i>N</i>-(octylsulfonyl)dithiocarbimato(2-)-κ^2^S,S']nickelate(II)
• Formula: C66 H74 N2 Ni O4 P2 S6
• Calculated formula: C66 H74 N2 Ni O4 P2 S6
• SMILES: C1(=NS(=O)(=O)CCCCCCCC)S[Ni]2(S1)SC(=NS(=O)(=O)CCCCCCCC)S2.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Bis(tetraphenylphosphonium) bis[<i>N</i>-(octylsulfonyl)dithiocarbimato(2‒)-κ^2^<i>S</i>,<i>S</i>']nickelate(II)
• Authors of publication: Cunha, Leandro M. G.; Rubinger, Mayura M. M.; Oliveira, Marcelo R. L.; Sabino, Jose R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m148 - m149
• a: 29.113 ± 0.004 Å
• b: 10.425 ± 0.002 Å
• c: 22.966 ± 0.003 Å
• α: 90°
• β: 115.5 ± 0.01°
• γ: 90°
• Cell volume: 6291.2 ± 1.8 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes