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Information card for entry 7706081
Preview
| Coordinates | 7706081.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H58 Cl2 Fe N24 O21 |
|---|---|
| Calculated formula | C34 H58 Cl2 Fe N24 O21 |
| Title of publication | Bifunctional Fe(II) spin crossover-complexes based on ω-(1<i>H</i>-tetrazol-1-yl) carboxylic acids. |
| Authors of publication | Zeni, Willi; Seifried, Marco; Knoll, Christian; Welch, Jan M.; Giester, Gerald; Stöger, Berthold; Artner, Werner; Reissner, Michael; Müller, Danny; Weinberger, Peter |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 47 |
| Pages of publication | 17183 - 17193 |
| a | 10.6262 ± 0.0013 Å |
| b | 11.0192 ± 0.0013 Å |
| c | 27.044 ± 0.003 Å |
| α | 96.08 ± 0.004° |
| β | 93.16 ± 0.004° |
| γ | 116.571 ± 0.003° |
| Cell volume | 2797.5 ± 0.6 Å3 |
| Cell temperature | 200.15 K |
| Ambient diffraction temperature | 200.15 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 | 0.1889 |
| Residual factor for significantly intense reflections | 0.0874 |
| Weighted residual factors for significantly intense reflections | 0.2197 |
| Weighted residual factors for all reflections included in the refinement | 0.2649 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7706081.cif |
| 259985 | 2020-12-19 | cif/ Adding structures of 7706076, 7706077, 7706078, 7706079, 7706080, 7706081, 7706082, 7706083, 7706084 via cif-deposit CGI script. |
7706081.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.