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Information card for entry 7704692
Preview
| Coordinates | 7704692.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H20 N6 |
|---|---|
| Calculated formula | C12 H20 N6 |
| Title of publication | Two ways of spin crossover in an iron(ii) coordination polymer associated with conformational changes of a bridging ligand. |
| Authors of publication | Książek, Maria; Weselski, Marek; Dreczko, Agnieszka; Maliuzhenko, Vladyslav; Kaźmierczak, Marcin; Tołoczko, Aleksandra; Kusz, Joachim; Bronisz, Robert |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 28 |
| Pages of publication | 9811 - 9819 |
| a | 7.9659 ± 0.0012 Å |
| b | 10.0866 ± 0.0013 Å |
| c | 8.5204 ± 0.0019 Å |
| α | 90° |
| β | 91.881 ± 0.015° |
| γ | 90° |
| Cell volume | 684.2 ± 0.2 Å3 |
| Cell temperature | 290 ± 1 K |
| Ambient diffraction temperature | 290 ± 1 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0849 |
| Residual factor for significantly intense reflections | 0.0765 |
| Weighted residual factors for significantly intense reflections | 0.259 |
| Weighted residual factors for all reflections included in the refinement | 0.2661 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.138 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7704692.cif |
| 254962 | 2020-08-06 | cif/ Updating files of 7704692, 7704693, 7704694, 7704695, 7704696, 7704697, 7704698, 7704699 Original log message: Adding full bibliography for 7704692--7704699.cif. |
7704692.cif |
| 253432 | 2020-06-25 | cif/ Adding structures of 7704692, 7704693, 7704694, 7704695, 7704696, 7704697, 7704698, 7704699 via cif-deposit CGI script. |
7704692.cif |
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Users of the data should acknowledge the original authors of the
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