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Information card for entry 2019682
Preview
| Coordinates | 2019682.cif |
|---|---|
| Structure factors | 2019682.hkl |
| Original IUCr paper | HTML |
| Chemical name | catena-poly[bis[μ~3~-(2-methylbenzimidazol-1-yl)acetato]cadmium(II)] |
|---|---|
| Formula | C20 H18 Cd N4 O4 |
| Calculated formula | C20 H18 Cd N4 O4 |
| SMILES | [Cd]123([O]=C(O1)Cn1c(nc4ccccc14)C)([O]=C(O2)Cn1c(nc2ccccc12)C)[n]1c(C)n(c2ccccc12)CC1=[O][Cd]2(O1)[O]=C(O2)Cn1c([n]3c2ccccc12)C |
| Title of publication | One- and two-dimensional Cd^II^ coordination polymers constructed from 2-(2-methyl-1<i>H</i>-benzimidazol-1-yl)acetate ligands |
| Authors of publication | Li, Qiang; Wang, Hui-Ting; Ye, Qiong |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 10 |
| Pages of publication | 992 - 997 |
| a | 14.7042 ± 0.0004 Å |
| b | 14.0074 ± 0.0004 Å |
| c | 37.95 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7816.5 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 73 |
| Hermann-Mauguin space group symbol | I b c a |
| Hall space group symbol | -I 2b 2c |
| Residual factor for all reflections | 0.0388 |
| Residual factor for significantly intense reflections | 0.0296 |
| Weighted residual factors for significantly intense reflections | 0.0649 |
| Weighted residual factors for all reflections included in the refinement | 0.0678 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.138 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181866 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/96. |
2019682.cif 2019682.hkl |
| 180864 | 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 2/01/96. |
2019682.cif 2019682.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. |
2019682.cif 2019682.hkl |
| 124462 | 2014-10-02 | cif/ hkl/ Adding structures of 2019682, 2019683 via cif-deposit CGI script. |
2019682.cif 2019682.hkl |
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Users of the data should acknowledge the original authors of the
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