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Information card for entry 2008780
Preview
Coordinates | 2008780.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Bis [bis(triphenylphosphoranylidene)ammonium] μ-tetrathiaoxalato-bis[(1,3-dithiol-2-thione-4,5-dithiolato)nickelate(II)] |
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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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2008780.html
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