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Information card for entry 4511799
Preview
| Coordinates | 4511799.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C49 H36 Cl6 N6 O8 Zn2 |
|---|---|
| Calculated formula | C49 H36 Cl6 N6 O8 Zn2 |
| Title of publication | Host–Guest Chemistry of 1D Suprachannels and Dihalomethane Molecules: Metallacyclodimeric Ensembles Consisting of Zinc(II)-2,7-bis(nicotinoyloxy)naphthalene Complexes |
| Authors of publication | Park, Minwoo; Kim, Hyeun; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 9 |
| Pages of publication | 4461 |
| a | 7.6168 ± 0.0016 Å |
| b | 9.243 ± 0.002 Å |
| c | 19.802 ± 0.005 Å |
| α | 101.716 ± 0.016° |
| β | 98.529 ± 0.016° |
| γ | 94.415 ± 0.016° |
| Cell volume | 1341.7 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.2499 |
| Residual factor for significantly intense reflections | 0.1227 |
| Weighted residual factors for significantly intense reflections | 0.2916 |
| Weighted residual factors for all reflections included in the refinement | 0.367 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4511799.cif |
| 179664 | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/17. |
4511799.cif |
| 122866 | 2014-09-06 | cif/ Updating files of 4511799, 4511800, 4511801, 4511802 Original log message: Adding full bibliography for 4511799--4511802.cif. |
4511799.cif |
| 122352 | 2014-08-22 | cif/ Adding structures of 4511799, 4511800, 4511801, 4511802 via cif-deposit CGI script. |
4511799.cif |
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Users of the data should acknowledge the original authors of the
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