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Information card for entry 2020037
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| Coordinates | 2020037.cif |
|---|---|
| Structure factors | 2020037.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[diammonium [[chloridocadmium(II)]-di-μ-chlorido-[chloridocadmium(II)]-bis(μ-3-aminobenzoato)-κ^3^<i>N</i>:<i>O</i>,<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>N</i>]] |
|---|---|
| Formula | C7 H10 Cd Cl2 N2 O2 |
| Calculated formula | C7 H10 Cd Cl2 N2 O2 |
| SMILES | [Cd]123([O]=C(O1)c1cc([NH2][Cd]4([O]=C(O4)c4cc([NH2]2)ccc4)(Cl)Cl)ccc1)(Cl)[Cl][Cd]12([Cl]3)(Cl)[O]=C(O1)c1cc(ccc1)[NH2][Cd]1([O]=C(O1)c1cc([NH2]2)ccc1)(Cl)Cl.[NH4+].[NH4+].[NH4+].[NH4+] |
| Title of publication | Synthesis and crystal structures of two coordination polymers and a binuclear cadmium(II) complex containing 3- and 4-aminobenzoate ligands |
| Authors of publication | Zhou, Dong-Mei; Zhao, Xiao-Lan; Liu, Feng-Yi; Kou, Jun-Feng |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 8 |
| a | 6.9826 ± 0.0014 Å |
| b | 14.909 ± 0.003 Å |
| c | 10.417 ± 0.002 Å |
| α | 90° |
| β | 99.3 ± 0.03° |
| γ | 90° |
| Cell volume | 1070.2 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0236 |
| Residual factor for significantly intense reflections | 0.0201 |
| Weighted residual factors for significantly intense reflections | 0.051 |
| Weighted residual factors for all reflections included in the refinement | 0.0526 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181870 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/00 |
2020037.cif 2020037.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2020037.cif 2020037.hkl |
| 141457 | 2015-07-09 | cif/ hkl/ Adding structures of 2020037, 2020038, 2020039 via cif-deposit CGI script. |
2020037.cif 2020037.hkl |
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Users of the data should acknowledge the original authors of the
structural data.