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Information card for entry 2230113
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| Coordinates | 2230113.cif |
|---|---|
| Structure factors | 2230113.hkl |
| Original IUCr paper | HTML |
| Common name | Bis(2-ethyl-5-methyl-1<i>H</i>-imidazole)-4,4'-methanediyl Co(II)chloride monohydrate |
|---|---|
| Chemical name | Dichlorido[bis(2-ethyl-5-methyl-1<i>H</i>-imidazol-4-yl- κ<i>N</i>^3^)methane]cobalt(II) monohydrate |
| Formula | C13 H22 Cl2 Co N4 O |
| Calculated formula | C13 H22 Cl2 Co N4 O |
| Title of publication | Dichlorido[bis(2-ethyl-5-methyl-1<i>H</i>-imidazol-4-yl-κ<i>N</i>^3^)methane]cobalt(II) monohydrate |
| Authors of publication | Qian, Xiao-Min; Luo, Yang-Hui; Li, Jin-Feng; Mao, Shu-Lin; Gao, Ge |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 5 |
| Pages of publication | m575 |
| a | 8.3927 ± 0.0007 Å |
| b | 12.1388 ± 0.0014 Å |
| c | 8.586 ± 0.0009 Å |
| α | 90° |
| β | 97.045 ± 0.001° |
| γ | 90° |
| Cell volume | 868.11 ± 0.15 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0649 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.0976 |
| Weighted residual factors for all reflections included in the refinement | 0.1143 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181223 (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 2/23/01. |
2230113.cif 2230113.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. |
2230113.cif 2230113.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230113.cif 2230113.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. | 2230113.cif 2230113.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230113.cif 2230113.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230113.cif 2230113.hkl |
| 20183 | 2011-06-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2230113 via cif-deposit CGI script. |
2230113.cif |
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Users of the data should acknowledge the original authors of the
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