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Information card for entry 2237278
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| Coordinates | 2237278.cif |
|---|---|
| Structure factors | 2237278.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichlorido(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')mercury(II) |
|---|---|
| Formula | C14 H12 Cl2 Hg N2 |
| Calculated formula | C14 H12 Cl2 Hg N2 |
| SMILES | [Hg]1(Cl)(Cl)[n]2c(ccc3ccc4ccc([n]1c4c23)C)C |
| Title of publication | Dichlorido(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')mercury(II) |
| Authors of publication | Warad, Ismail; Al-Noaimi, Mousa; Haddad, Salim F.; Othman, Rema |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 2 |
| Pages of publication | m109 |
| a | 7.5732 ± 0.0013 Å |
| b | 10.3733 ± 0.0016 Å |
| c | 18.673 ± 0.002 Å |
| α | 90° |
| β | 94.308 ± 0.012° |
| γ | 90° |
| Cell volume | 1462.8 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0753 |
| Residual factor for significantly intense reflections | 0.0514 |
| Weighted residual factors for significantly intense reflections | 0.1079 |
| Weighted residual factors for all reflections included in the refinement | 0.1276 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181294 (current) | 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 2/23/72. |
2237278.cif 2237278.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. |
2237278.cif 2237278.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2237278.cif 2237278.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237278.cif 2237278.hkl |
| 75278 | 2013-03-09 | cif/ Adding structures of 2237278 via cif-deposit CGI script. |
2237278.cif |
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Users of the data should acknowledge the original authors of the
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