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Information card for entry 2014893
Preview
Coordinates | 2014893.cif |
---|---|
Structure factors | 2014893.hkl |
Original IUCr paper | HTML |
Chemical name | Di-μ-chloro-bis[chloro(triphenylphosphine)mercury(II)] |
---|---|
Formula | C36 H30 Cl4 Hg2 P2 |
Calculated formula | C36 H30 Cl4 Hg2 P2 |
SMILES | [P](c1ccccc1)(c1ccccc1)(c1ccccc1)[Hg]1(Cl)[Cl][Hg]([P](c2ccccc2)(c2ccccc2)c2ccccc2)(Cl)[Cl]1 |
Title of publication | Di-μ-halogeno-bis[halogeno(triphenylphosphine)mercury(II)], [Ph~3~PHg<i>X</i>(μ-<i>X</i>)~2~<i>X</i>HgPPh~3~], reinvestigated at 120K for <i>X</i> = Cl and Br, and a second polymorph for <i>X</i> = I, also at 120 K |
Authors of publication | Mariyatra, M. Baby; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2005 |
Journal volume | 61 |
Journal issue | 4 |
Pages of publication | m211 - m214 |
a | 12.154 ± 0.0002 Å |
b | 11.2982 ± 0.0003 Å |
c | 13.2965 ± 0.0003 Å |
α | 90° |
β | 93.346 ± 0.0016° |
γ | 90° |
Cell volume | 1822.74 ± 0.07 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0329 |
Residual factor for significantly intense reflections | 0.024 |
Weighted residual factors for significantly intense reflections | 0.0459 |
Weighted residual factors for all reflections included in the refinement | 0.0482 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
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/2014893.html
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