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Information card for entry 4344087
Preview
| Coordinates | 4344087.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C186 H164 F24 N8 O12.5 P12 Re4 |
|---|---|
| Calculated formula | C186 H164 F24 N8 O12.5 P12 Re4 |
| Title of publication | Trinuclear and Tetranuclear Re(I) Rings Connected with Phenylene, Vinylene, and Ethynylene Chains: Synthesis, Photophysics, and Redox Properties. |
| Authors of publication | Rohacova, Jana; Sekine, Akiko; Kawano, Tsubasa; Tamari, Sho; Ishitani, Osamu |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 17 |
| Pages of publication | 8769 - 8777 |
| a | 19.6709 ± 0.0004 Å |
| b | 32.5748 ± 0.0006 Å |
| c | 29.0674 ± 0.0005 Å |
| α | 90° |
| β | 104.398 ± 0.001° |
| γ | 90° |
| Cell volume | 18040.7 ± 0.6 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1767 |
| Residual factor for significantly intense reflections | 0.0882 |
| Weighted residual factors for significantly intense reflections | 0.2348 |
| Weighted residual factors for all reflections included in the refinement | 0.2935 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.942 |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
4344087.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. |
4344087.cif |
| 160517 | 2015-10-06 | cif/ Updating files of 4344084, 4344085, 4344086, 4344087 Original log message: Adding full bibliography for 4344084--4344087.cif. |
4344087.cif |
| 153578 | 2015-08-22 | cif/ Adding structures of 4344084, 4344085, 4344086, 4344087 via cif-deposit CGI script. |
4344087.cif |
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Users of the data should acknowledge the original authors of the
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