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Information card for entry 2018294
Preview
| Coordinates | 2018294.cif |
|---|---|
| Structure factors | 2018294.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>trans</i>-bis(1<i>H</i>-benzimidazole-2-carboxylato- κ^2^<i>N</i>^3^,<i>O</i>)bis(ethanol-κ<i>O</i>)cadmium |
|---|---|
| Formula | C20 H22 Cd N4 O6 |
| Calculated formula | C20 H22 Cd N4 O6 |
| SMILES | C1(=O)c2[n](c3ccccc3[nH]2)[Cd]2([n]3c(C(=O)O2)[nH]c2ccccc32)(O1)([OH]CC)[OH]CC |
| Title of publication | Two mononuclear octahedral complexes with benzimidazole-2-carboxylate: supramolecular networks constructed by hydrogen bonds |
| Authors of publication | Fan, Jun; Cai, Song-Liang; Zheng, Sheng-Run; Zhang, Wei-Guang |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | m346 - m350 |
| a | 5.4761 ± 0.0011 Å |
| b | 10.477 ± 0.002 Å |
| c | 19.896 ± 0.004 Å |
| α | 75.31 ± 0.03° |
| β | 88.67 ± 0.03° |
| γ | 78.54 ± 0.03° |
| Cell volume | 1081.7 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0672 |
| Residual factor for significantly intense reflections | 0.0557 |
| Weighted residual factors for significantly intense reflections | 0.1547 |
| Weighted residual factors for all reflections included in the refinement | 0.1611 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.17 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180851 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/82. |
2018294.cif 2018294.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018294.cif 2018294.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018294.cif 2018294.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. | 2018294.cif 2018294.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2018294.cif 2018294.hkl |
| 31097 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2018294, 2018295 via cif-deposit CGI script. |
2018294.cif |
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Users of the data should acknowledge the original authors of the
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