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Information card for entry 7234969
Preview
| Coordinates | 7234969.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H28 Fe N6 S2 |
|---|---|
| Calculated formula | C26 H28 Fe N6 S2 |
| Title of publication | Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state |
| Authors of publication | Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| Journal volume | 22 |
| Journal issue | 2 |
| Pages of publication | 184 - 194 |
| a | 27.693 ± 0.003 Å |
| b | 27.693 ± 0.003 Å |
| c | 11.1885 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 7430.9 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.1073 |
| Residual factor for significantly intense reflections | 0.0676 |
| Weighted residual factors for significantly intense reflections | 0.1526 |
| Weighted residual factors for all reflections included in the refinement | 0.171 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7234969.cif |
| 257461 | 2020-10-06 | cif/ Updating files of 7234964, 7234965, 7234966, 7234967, 7234968, 7234969, 7234970 Original log message: Adding full bibliography for 7234964--7234970.cif. |
7234969.cif |
| 247673 | 2020-02-04 | cif/ Updating files of 7234964, 7234965, 7234966, 7234967, 7234968, 7234969, 7234970 Original log message: Adding full bibliography for 7234964--7234970.cif. |
7234969.cif |
| 223273 | 2019-11-05 | cif/ Adding structures of 7234964, 7234965, 7234966, 7234967, 7234968, 7234969, 7234970 via cif-deposit CGI script. |
7234969.cif |
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Users of the data should acknowledge the original authors of the
structural data.