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Information card for entry 7215970
Preview
| Coordinates | 7215970.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C116 H178 Co N4 O38 S12 |
|---|---|
| Calculated formula | C116 H178 Co N4 O38 S12 |
| Title of publication | Encapsulation of manganese and cobalt complexes within resorcin[4]arene dimers |
| Authors of publication | Drachnik, Amanda M.; Kumari, Harshita; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L. |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 31 |
| Pages of publication | 7172 |
| a | 12.9496 ± 0.0016 Å |
| b | 12.9821 ± 0.0016 Å |
| c | 20.789 ± 0.003 Å |
| α | 84.935 ± 0.002° |
| β | 82.643 ± 0.002° |
| γ | 77.463 ± 0.001° |
| Cell volume | 3376.9 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1398 |
| Residual factor for significantly intense reflections | 0.0982 |
| Weighted residual factors for significantly intense reflections | 0.2317 |
| Weighted residual factors for all reflections included in the refinement | 0.2735 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7215970.cif |
| 180490 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/59. |
7215970.cif |
| 121597 | 2014-08-08 | cif/ Updating files of 7215970, 7215971, 7215972 Original log message: Adding full bibliography for 7215970--7215972.cif. |
7215970.cif |
| 113867 | 2014-05-16 | cif/ Adding structures of 7215970, 7215971, 7215972 via cif-deposit CGI script. |
7215970.cif |
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Users of the data should acknowledge the original authors of the
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