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Information card for entry 4320382
Preview
| Coordinates | 4320382.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H15 Cs N12 Ni |
|---|---|
| Calculated formula | C18 H15 Cs N12 Ni |
| Title of publication | Cesium(I)-Mediated 3-D Superstructures by One-Pot Self-Organization of Hydrogen-Bonded Nickel Complexes |
| Authors of publication | Makoto Tadokoro; Takumasa Shiomi; Kiyoshi Isobe; Kazuhiro Nakasuji |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 5476 - 5478 |
| a | 12.601 ± 0.003 Å |
| b | 13.274 ± 0.003 Å |
| c | 13.363 ± 0.003 Å |
| α | 90° |
| β | 97.02 ± 0.02° |
| γ | 90° |
| Cell volume | 2218.4 ± 0.9 Å3 |
| Cell temperature | 296.2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0632 |
| Weighted residual factors for all reflections included in the refinement | 0.0843 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.169 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4320382.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4320382.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4320382.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4320382.cif |
| 17290 | 2011-04-06 | ../uploads/cif-deposit/cod/cif Adding structures of 4320382 via cif-deposit CGI script. |
4320382.cif |
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Users of the data should acknowledge the original authors of the
structural data.