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Information card for entry 7224505
Preview
| Coordinates | 7224505.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H32 Co N2 O8 |
|---|---|
| Calculated formula | C24 H32 Co N2 O8 |
| SMILES | [O]12[Co]34([OH2])([OH2])[N](CC[O]4CC[N]3(CC2)Cc2ccc(cc2)C(=O)[O-])(CC1)Cc1ccc(cc1)C(=O)[O-] |
| Title of publication | A hydrogen bonded Co(ii) coordination complex and a triply interpenetrating 3-D manganese(ii) coordination polymer from diaza crown ether with dibenzoate sidearms |
| Authors of publication | Liao, Liang; Ingram, Conrad W.; Bacsa, John; Zhang, Z. John; Dinadayalane, Tandabany |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 14 |
| Pages of publication | 2425 |
| a | 9.7472 ± 0.0009 Å |
| b | 22.777 ± 0.002 Å |
| c | 7.0903 ± 0.0007 Å |
| α | 90° |
| β | 131.453 ± 0.006° |
| γ | 90° |
| Cell volume | 1179.8 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 8 |
| Hermann-Mauguin space group symbol | C 1 m 1 |
| Hall space group symbol | C -2y |
| Residual factor for all reflections | 0.0476 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.0894 |
| Weighted residual factors for all reflections included in the refinement | 0.0918 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7224505.cif |
| 181617 | 2016-04-05 | cif/ Updating files of 7224504, 7224505, 7224506 Original log message: Adding full bibliography for 7224504--7224506.cif. |
7224505.cif |
| 177615 | 2016-03-05 | cif/ Adding structures of 7224504, 7224505, 7224506 via cif-deposit CGI script. |
7224505.cif |
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Users of the data should acknowledge the original authors of the
structural data.