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Information card for entry 2239299
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| Coordinates | 2239299.cif |
|---|---|
| Structure factors | 2239299.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichlorido(4-{[(quinolin-2-yl)methylidene]amino}phenol-κ^2^<i>N</i>,<i>N</i>')mercury(II) |
|---|---|
| Formula | C16 H12 Cl2 Hg N2 O |
| Calculated formula | C16 H12 Cl2 Hg N2 O |
| SMILES | c1(ccc(cc1)[N]1=Cc2ccc3c(cccc3)[n]2[Hg]1(Cl)Cl)O |
| Title of publication | Dichlorido(4-{[(quinolin-2-yl)methylidene]amino}phenol-κ^2^<i>N</i>,<i>N</i>')mercury(II) |
| Authors of publication | Faizi, Md. Serajul Haque; Sen, Pratik |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | m173 |
| a | 7.539 ± 0.005 Å |
| b | 18.551 ± 0.005 Å |
| c | 10.806 ± 0.005 Å |
| α | 90° |
| β | 94.38 ± 0.005° |
| γ | 90° |
| Cell volume | 1506.9 ± 1.3 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 | 0.0208 |
| Residual factor for significantly intense reflections | 0.0164 |
| Weighted residual factors for significantly intense reflections | 0.0339 |
| Weighted residual factors for all reflections included in the refinement | 0.035 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| 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. |
2239299.cif 2239299.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. |
2239299.cif 2239299.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. |
2239299.cif 2239299.hkl |
| 109240 | 2014-04-10 | cif/ hkl/ Adding structures of 2239299 via cif-deposit CGI script. |
2239299.cif 2239299.hkl |
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