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Information card for entry 4344044
Preview
| Coordinates | 4344044.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C58 H48 F12 N8 O4 Os P2 |
|---|---|
| Calculated formula | C58 H48 F12 N8 O4 Os P2 |
| SMILES | [Os]1234([n]5ccccc5c5[n]1c(cc(N(c1ccc(OC)cc1)c1ccc(OC)cc1)c5)c1[n]2cccc1)[n]1ccccc1c1[n]3c(cc(N(c2ccc(OC)cc2)c2ccc(OC)cc2)c1)c1[n]4cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Osmium Bisterpyridine Complexes with Redox-Active Amine Substituents: A Comparison Study with Ruthenium Analogues. |
| Authors of publication | Sun, Meng-Jia; Shao, Jiang-Yang; Yao, Chang-Jiang; Zhong, Yu-Wu; Yao, Jiannian |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 16 |
| Pages of publication | 8136 - 8147 |
| a | 9.0219 ± 0.0018 Å |
| b | 16.256 ± 0.003 Å |
| c | 22.75 ± 0.004 Å |
| α | 110.71 ± 0.03° |
| β | 97.09 ± 0.03° |
| γ | 93.99 ± 0.03° |
| Cell volume | 3073.9 ± 1.2 Å3 |
| Cell temperature | 173.15 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0819 |
| Residual factor for significantly intense reflections | 0.0804 |
| Weighted residual factors for significantly intense reflections | 0.2086 |
| Weighted residual factors for all reflections included in the refinement | 0.2107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4344044.cif |
| 176429 | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
4344044.cif |
| 160499 | 2015-10-06 | cif/ Updating files of 4344044 Original log message: Adding full bibliography for 4344044.cif. |
4344044.cif |
| 152760 | 2015-08-05 | cif/ Adding structures of 4344044 via cif-deposit CGI script. |
4344044.cif |
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