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Information card for entry 2208339
Preview
Coordinates | 2208339.cif |
---|---|
Structure factors | 2208339.hkl |
Original IUCr paper | HTML |
Chemical name | Dichloro(4,4'-di-tert-butyl-2,2'-bipyridine-κ^2^N,N)bis(triphenylphosphine- κP)ruthenium(II) dichloromethane solvate |
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Formula | C55 H56 Cl4 N2 P2 Ru |
Calculated formula | C55 H56 Cl4 N2 P2 Ru |
SMILES | [Ru]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)(Cl)(Cl)[n]2c(cc(cc2)C(C)(C)C)c2[n]1ccc(c2)C(C)(C)C.C(Cl)Cl |
Title of publication | Dichloro(4,4'-di-<i>tert</i>-butyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>)bis(triphenylphosphine-κ<i>P</i>)ruthenium(II) dichloromethane solvate |
Authors of publication | Yan-Wei Song; Zhan Yu; Qian-Feng Zhang |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 3 |
Pages of publication | m520 - m522 |
a | 11.9856 ± 0.0007 Å |
b | 28.2762 ± 0.0016 Å |
c | 15.1591 ± 0.0009 Å |
α | 90° |
β | 103.034 ± 0.001° |
γ | 90° |
Cell volume | 5005.2 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.079 |
Residual factor for significantly intense reflections | 0.0472 |
Weighted residual factors for significantly intense reflections | 0.0956 |
Weighted residual factors for all reflections included in the refinement | 0.1064 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
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/2208339.html
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