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Information card for entry 4325781
Preview
Coordinates | 4325781.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60 H40 N6 P2 S6 W |
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Calculated formula | C60 H40 N6 P2 S6 W |
SMILES | C1(S[W]23(SC=1C#N)(SC(=C(S3)C#N)C#N)SC(=C(S2)C#N)C#N)C#N.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Monoanionic Molybdenum and Tungsten Tris(dithiolene) Complexes: A Multifrequency EPR Study |
Authors of publication | Stephen Sproules; Priyabrata Banerjee; Thomas Weyhermüller; Yong Yan; James P. Donahue; Karl Wieghardt |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 7106 - 7122 |
a | 19.908 ± 0.0003 Å |
b | 15.1931 ± 0.0003 Å |
c | 18.3256 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5542.84 ± 0.16 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.0464 |
Residual factor for significantly intense reflections | 0.0297 |
Weighted residual factors for significantly intense reflections | 0.0644 |
Weighted residual factors for all reflections included in the refinement | 0.0715 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
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/4325781.html
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Users of the data should acknowledge the original authors of the
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