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Information card for entry 2232881
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| Coordinates | 2232881.cif |
|---|---|
| Structure factors | 2232881.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2,9-Dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')diiodidocadmium |
|---|---|
| Formula | C14 H12 Cd I2 N2 |
| Calculated formula | C14 H12 Cd I2 N2 |
| SMILES | c1(ccc2c3[n]1[Cd](I)(I)[n]1c(ccc(c31)cc2)C)C |
| Title of publication | (2,9-Dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')diiodidocadmium |
| Authors of publication | Warad, Ismail; Boshaala, Ahmed; Al-Resayes, Saud I.; Al-Deyab, Salem S.; Rzaigui, Mohamed |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1650 |
| a | 15.69 ± 0.003 Å |
| b | 11.58 ± 0.002 Å |
| c | 9.836 ± 0.005 Å |
| α | 90° |
| β | 114.65 ± 0.04° |
| γ | 90° |
| Cell volume | 1624.3 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.095 |
| Residual factor for significantly intense reflections | 0.0472 |
| Weighted residual factors for significantly intense reflections | 0.1091 |
| Weighted residual factors for all reflections included in the refinement | 0.1268 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.56087 Å |
| Diffraction radiation type | AgKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181250 (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 2/23/28. |
2232881.cif 2232881.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. |
2232881.cif 2232881.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232881.cif 2232881.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. | 2232881.cif 2232881.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232881.cif 2232881.hkl |
| 31765 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232881 via cif-deposit CGI script. |
2232881.cif |
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Users of the data should acknowledge the original authors of the
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