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Information card for entry 4131168
Preview
| Coordinates | 4131168.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [CNArMes2]2 |
|---|---|
| Formula | C58 H68 N2 O2 |
| Calculated formula | C58 H68 N2 O2 |
| Title of publication | Robust, Transformable, and Crystalline Single-Node Organometallic Networks Constructed from Ditopic m-Terphenyl Isocyanides. |
| Authors of publication | Agnew, Douglas W.; Gembicky, Milan; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 46 |
| Pages of publication | 15138 - 15141 |
| a | 12.6957 ± 0.0008 Å |
| b | 13.7455 ± 0.0007 Å |
| c | 15.3667 ± 0.0009 Å |
| α | 104.296 ± 0.002° |
| β | 90.301 ± 0.002° |
| γ | 104.17 ± 0.002° |
| Cell volume | 2513.3 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0774 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.0958 |
| Weighted residual factors for all reflections included in the refinement | 0.1095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301835 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/13/ Each referenced PubChem compound corresponds to the full crystal structure. |
4131168.cif |
| 241448 | 2019-11-25 | cif/ Adding structures of 4131168, 4131169, 4131170, 4131171 via cif-deposit CGI script. |
4131168.cif |
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Users of the data should acknowledge the original authors of the
structural data.