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Information card for entry 4342226
Preview
| Coordinates | 4342226.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C52 H39 Br2 N2 Os P2 |
|---|---|
| Calculated formula | C52 H39 Br2 N2 Os P2 |
| Title of publication | Orthometalation of Dibenzo[1,2]quinoxaline with Ruthenium(II/III), Osmium(II/III/IV), and Rhodium(III) Ions and Orthometalated [RuNO](6/7) Derivatives. |
| Authors of publication | Maity, Suvendu; Kundu, Suman; Saha Roy, Amit; Weyhermüller, Thomas; Ghosh, Prasanta |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 4 |
| Pages of publication | 1384 - 1394 |
| a | 12.199 ± 0.003 Å |
| b | 30.062 ± 0.008 Å |
| c | 13.339 ± 0.004 Å |
| α | 90° |
| β | 96.556 ± 0.004° |
| γ | 90° |
| Cell volume | 4860 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1064 |
| Residual factor for significantly intense reflections | 0.0814 |
| Weighted residual factors for significantly intense reflections | 0.2134 |
| Weighted residual factors for all reflections included in the refinement | 0.2288 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
4342226.cif |
| 179525 | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/22. |
4342226.cif |
| 132807 | 2015-03-04 | cif/ Updating files of 4342224, 4342225, 4342226, 4342227 Original log message: Adding full bibliography for 4342224--4342227.cif. |
4342226.cif |
| 130430 | 2015-02-04 | cif/ Adding structures of 4342224, 4342225, 4342226, 4342227 via cif-deposit CGI script. |
4342226.cif |
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Users of the data should acknowledge the original authors of the
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