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Information card for entry 2239269
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| Coordinates | 2239269.cif |
|---|---|
| Structure factors | 2239269.hkl |
| Original IUCr paper | HTML |
| Chemical name | [1,2-Bis(dicyclohexylphosphanyl)-1,2-dicarba-<i>closo</i>-dodecaborane-2κ^2^<i>P</i>,<i>P</i>']di-μ-chlorido-1:2κ^4^<i>Cl</i>:<i>Cl</i>-dichlorido-1κ^2^<i>Cl</i>-dimercury(II) |
|---|---|
| Formula | C26 H54 B10 Cl4 Hg2 P2 |
| Calculated formula | C26 H54 B10 Cl4 Hg2 P2 |
| SMILES | [Hg]12([P]([C]3456[BH]789[BH]%10%113[BH]3%124[BH]4%135[BH]5%14%15[BH]%167([BH]78%10[BH]8%113[BH]%1245[BH]%14%1678)[C]69%13%15[P]1(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1)[Cl][Hg]([Cl]2)(Cl)Cl |
| Title of publication | [1,2-Bis(dicyclohexylphosphanyl)-1,2-dicarba-<i>closo</i>-dodecaborane-2κ^2^<i>P</i>,<i>P</i>']di-μ-chlorido-1:2κ^4^<i>Cl</i>:<i>Cl</i>-dichlorido-1κ^2^<i>Cl</i>-dimercury(II) |
| Authors of publication | Yang, Liguo |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 4 |
| Pages of publication | m140 |
| a | 10.2233 ± 0.0011 Å |
| b | 16.6581 ± 0.0018 Å |
| c | 11.7146 ± 0.0015 Å |
| α | 90° |
| β | 95 ± 0.001° |
| γ | 90° |
| Cell volume | 1987.4 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0545 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.1416 |
| Weighted residual factors for all reflections included in the refinement | 0.1477 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181892 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/92. |
2239269.cif 2239269.hkl |
| 181311 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/92. |
2239269.cif 2239269.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239269.cif 2239269.hkl |
| 108841 | 2014-04-03 | cif/ hkl/ Adding structures of 2239269 via cif-deposit CGI script. |
2239269.cif 2239269.hkl |
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