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Information card for entry 4065944
Preview
Coordinates | 4065944.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C86 H74 O4 P6 Ru2 S4 |
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Calculated formula | C86 H74 O4 P6 Ru2 S4 |
SMILES | c1(ccc(cc1)OC)[P@@]12[S]3[Ru]4([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)([S]=1)O[P@@]1(c5ccc(cc5)OC)[S]4[Ru]3(O2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[S]=1 |
Title of publication | Ruthenium Complexes with Dithiophosphonates [Ar(RO)PS2]−and [Fc(RO)PS2]−(Ar =p-CH3OC6H4, Fc = Fe(η5-C5H4)(η5-C5H5)) |
Authors of publication | Wang, Xi-Ying; Li, Yan; Ma, Qing; Zhang, Qian-Feng |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 12 |
Pages of publication | 2752 |
a | 10.5303 ± 0.0001 Å |
b | 14.3653 ± 0.0001 Å |
c | 14.4226 ± 0.0001 Å |
α | 65.843 ± 0.001° |
β | 85.502 ± 0.001° |
γ | 71.413 ± 0.001° |
Cell volume | 1883.41 ± 0.03 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0374 |
Residual factor for significantly intense reflections | 0.029 |
Weighted residual factors for significantly intense reflections | 0.0649 |
Weighted residual factors for all reflections included in the refinement | 0.0691 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
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/4065944.html
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Users of the data should acknowledge the original authors of the
structural data.