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Information card for entry 2228066
Preview
| Coordinates | 2228066.cif |
|---|---|
| Structure factors | 2228066.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichloridobis[2-(2-furyl)-1-(2-furylmethyl)-1<i>H</i>-benzimidazole- κ<i>N</i>^3^]cadmium(II) |
|---|---|
| Formula | C32 H24 Cd Cl2 N4 O4 |
| Calculated formula | C32 H24 Cd Cl2 N4 O4 |
| SMILES | c12ccccc1n(c(c1ccco1)[n]2[Cd](Cl)([n]1c2ccccc2n(c1c1ccco1)Cc1occc1)Cl)Cc1occc1 |
| Title of publication | Dichloridobis[2-(2-furyl)-1-(2-furylmethyl)-1<i>H</i>-benzimidazole-κ<i>N</i>^3^]cadmium(II) |
| Authors of publication | Wang, Xia; Li, Yu-Xian; Liu, Yan-Ju; Yang, Huai-Xia; Zhang, Cong-Cong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 10 |
| Pages of publication | m1207 |
| a | 18.397 ± 0.004 Å |
| b | 10.451 ± 0.002 Å |
| c | 17.47 ± 0.003 Å |
| α | 90° |
| β | 116.72 ± 0.03° |
| γ | 90° |
| Cell volume | 3000.2 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0583 |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for significantly intense reflections | 0.1033 |
| Weighted residual factors for all reflections included in the refinement | 0.1096 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181201 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/80. |
2228066.cif 2228066.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228066.cif 2228066.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228066.cif 2228066.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. | 2228066.cif 2228066.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228066.cif 2228066.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2228066.cif 2228066.hkl |
| 5103 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2228066 via cif-deposit CGI script. |
2228066.cif |
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Users of the data should acknowledge the original authors of the
structural data.