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Information card for entry 2235224
Preview
Coordinates | 2235224.cif |
---|---|
Structure factors | 2235224.hkl |
Original IUCr paper | HTML |
Chemical name | Bis(4'-chloro-2,2':6',2''-terpyridine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')ruthenium(II) dichloride dihydrate |
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Formula | C30 H24 Cl4 N6 O2 Ru |
Calculated formula | C30 H24 Cl4 N6 O2 Ru |
SMILES | [Ru]1234([n]5ccccc5c5[n]1c(cc(Cl)c5)c1[n]2cccc1)[n]1ccccc1c1[n]3c(cc(Cl)c1)c1[n]4cccc1.O.O.[Cl-].[Cl-] |
Title of publication | Bis(4'-chloro-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')ruthenium(II) dichloride dihydrate |
Authors of publication | Wang, Ying; Jiao, Rui; Qiu, Xiang-Lei; Wang, Jian; Huang, Wei |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 6 |
Pages of publication | m777 - m778 |
a | 10.1367 ± 0.0005 Å |
b | 16.2964 ± 0.0007 Å |
c | 17.8995 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2956.8 ± 0.2 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 6 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0376 |
Residual factor for significantly intense reflections | 0.0342 |
Weighted residual factors for significantly intense reflections | 0.0828 |
Weighted residual factors for all reflections included in the refinement | 0.0844 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
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/2235224.html
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