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Information card for entry 2235080
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| Coordinates | 2235080.cif |
|---|---|
| Structure factors | 2235080.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[2-(2-aminoethyl)-1<i>H</i>-benzimidazole- κ^2^<i>N</i>^2^,<i>N</i>^3^](nitrato-κ^2^<i>O</i>,<i>O</i>')cobalt(II) chloride trihydrate |
|---|---|
| Formula | C18 H28 Cl Co N7 O6 |
| Calculated formula | C18 H28 Cl Co N7 O6 |
| SMILES | [Co]123([N]4c5ccccc5NC=4CC[NH2]1)([n]1c4ccccc4[nH]c1CC[NH2]2)ON(=[O]3)=O.[Cl-].O.O.O |
| Title of publication | Bis[2-(2-aminoethyl)-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^](nitrato-κ^2^<i>O</i>,<i>O</i>')cobalt(II) chloride trihydrate |
| Authors of publication | Zhao, Jing; Zhang, Heng; Zhu, Guoyi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 6 |
| Pages of publication | m711 - m712 |
| a | 7.408 ± 0.002 Å |
| b | 9.808 ± 0.003 Å |
| c | 17.28 ± 0.006 Å |
| α | 76.238 ± 0.007° |
| β | 89.203 ± 0.007° |
| γ | 67.867 ± 0.005° |
| Cell volume | 1125.6 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0764 |
| Residual factor for significantly intense reflections | 0.0495 |
| Weighted residual factors for significantly intense reflections | 0.1199 |
| Weighted residual factors for all reflections included in the refinement | 0.1313 |
| 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 |
|---|---|---|---|
| 181272 (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 2/23/50. |
2235080.cif 2235080.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. |
2235080.cif 2235080.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235080.cif 2235080.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. | 2235080.cif 2235080.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235080.cif 2235080.hkl |
| 61728 | 2012-07-05 | cif/ Adding structures of 2235080 via cif-deposit CGI script. |
2235080.cif |
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Users of the data should acknowledge the original authors of the
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