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Information card for entry 4507172
Preview
| Coordinates | 4507172.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H46 Co N7 O20 |
|---|---|
| Calculated formula | C50 H46 Co N7 O20 |
| SMILES | C(=O)(c1ccc(cc1)N1C(=O)c2cccc3C(=O)N(c4ccc(cc4)C(=O)O)[Co]451([n]23)N(c1ccc(C(=O)O)cc1)C(=O)c1cccc(C(=O)N5c2ccc(cc2)C(=O)O)[n]41)O.C(C)[N+](CC)(CC)CC.O.O.O.O.O.O.O.O |
| Title of publication | Cobalt Complexes Appended withpara- andmeta-Arylcarboxylic Acids: Influence of Cation, Solvent, and Symmetry on Hydrogen-Bonded Assemblies |
| Authors of publication | Kumar, Girijesh; Aggarwal, Himanshu; Gupta, Rajeev |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2013 |
| Journal volume | 13 |
| Journal issue | 1 |
| Pages of publication | 74 |
| a | 11.0105 ± 0.0007 Å |
| b | 15.6825 ± 0.0011 Å |
| c | 17.8843 ± 0.0008 Å |
| α | 111.061 ± 0.005° |
| β | 103.503 ± 0.005° |
| γ | 99.944 ± 0.005° |
| Cell volume | 2687.8 ± 0.3 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 | 0.0703 |
| Residual factor for significantly intense reflections | 0.0587 |
| Weighted residual factors for significantly intense reflections | 0.1559 |
| Weighted residual factors for all reflections included in the refinement | 0.1653 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179607 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/71. |
4507172.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4507172.cif |
| 73840 | 2013-02-21 | cif/ Adding structures of 4507170, 4507171, 4507172, 4507173, 4507174, 4507175, 4507176, 4507177 via cif-deposit CGI script. |
4507172.cif |
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Users of the data should acknowledge the original authors of the
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