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Information card for entry 2015290
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Coordinates | 2015290.cif |
---|---|
Structure factors | 2015290.hkl |
Original IUCr paper | HTML |
Chemical name | Tetrakis(pentafluorobenzenethiolato-κS)(triphenylphosphine-κP)osmium(IV) |
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Formula | C42 H15 F20 Os P S4 |
Calculated formula | C42 H15 F20 Os P S4 |
SMILES | [Os]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Sc1c(c(c(c(c1F)F)F)F)F)(Sc1c(c(c(c(c1F)F)F)F)F)(Sc1c(c(c(c(c1F)F)F)F)F)Sc1c(c(c(c(c1F)F)F)F)F |
Title of publication | Tetrakis(pentafluorobenzenethiolato-κ<i>S</i>)(triphenylphosphine-κ<i>P</i>)osmium(IV): a <i>Z</i>' = 3 structure with a supramolecular double-stranded backbone |
Authors of publication | Mendoza, María del Consuelo; Bernès, Sylvain; Arroyo, Maribel |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 5 |
Pages of publication | m201 - m204 |
a | 13.0394 ± 0.0013 Å |
b | 44.781 ± 0.003 Å |
c | 22.8023 ± 0.0017 Å |
α | 90° |
β | 100.051 ± 0.008° |
γ | 90° |
Cell volume | 13110.3 ± 1.9 Å3 |
Cell temperature | 299 ± 2 K |
Ambient diffraction temperature | 296 ± 1 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.102 |
Residual factor for significantly intense reflections | 0.0552 |
Weighted residual factors for significantly intense reflections | 0.1169 |
Weighted residual factors for all reflections included in the refinement | 0.1435 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2015290.html
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