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Information card for entry 2232489
Preview
| Coordinates | 2232489.cif |
|---|---|
| Structure factors | 2232489.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichloridobis[3-methoxymethyl-4-phenyl-5-(2-pyridyl)-4<i>H</i>-1,2,4- triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^]chromium(III) chloride |
|---|---|
| Formula | C30 H28 Cl3 Cr N8 O2 |
| Calculated formula | C30 H28 Cl2.99933 Cr N8 O2 |
| Title of publication | Dichloridobis[3-methoxymethyl-4-phenyl-5-(2-pyridyl)-4<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^]chromium(III) chloride |
| Authors of publication | Jin, Xiaofei; Wang, Zuoxiang; Cao, Shouping |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | m1492 |
| a | 20.8852 ± 0.0012 Å |
| b | 20.8852 ± 0.0012 Å |
| c | 37.62 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 14211.1 ± 1.9 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 167 |
| Hermann-Mauguin space group symbol | R -3 c :H |
| Hall space group symbol | -R 3 2"c |
| Residual factor for all reflections | 0.0512 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for significantly intense reflections | 0.1132 |
| Weighted residual factors for all reflections included in the refinement | 0.1194 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181246 (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 2/23/24. |
2232489.cif 2232489.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. |
2232489.cif 2232489.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232489.cif 2232489.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. | 2232489.cif 2232489.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232489.cif 2232489.hkl |
| 31158 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232489 via cif-deposit CGI script. |
2232489.cif |
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