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Information card for entry 7031742
Preview
| Coordinates | 7031742.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C31 H28 N8 O5 Os |
|---|---|
| Calculated formula | C31 H28 N8 O5 Os |
| SMILES | [Os]123(OC(=O)c4n1cnc4c1nc4c([nH]1)cccc4)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.O.O.O |
| Title of publication | Electronic structures and selective fluoride sensing features of Os(bpy)2(HL(2-)) and [{Os(bpy)2}2(μ-HL(2-))](2+) (H3L: 5-(1H-benzo[d]imidazol-2-yl)-1H-imidazole-4-carboxylic acid). |
| Authors of publication | Das, Ankita; Agarwala, Hemlata; Kundu, Tanaya; Ghosh, Prabir; Mondal, Sudipta; Mobin, Shaikh M.; Lahiri, Goutam Kumar |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 37 |
| Pages of publication | 13932 - 13947 |
| a | 9.535 ± 0.005 Å |
| b | 25.768 ± 0.005 Å |
| c | 12.599 ± 0.005 Å |
| α | 90° |
| β | 93.582 ± 0.005° |
| γ | 90° |
| Cell volume | 3090 ± 2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0198 |
| Residual factor for significantly intense reflections | 0.0194 |
| Weighted residual factors for significantly intense reflections | 0.0512 |
| Weighted residual factors for all reflections included in the refinement | 0.0516 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.881 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7031742.cif |
| 180023 | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/17. |
7031742.cif |
| 123478 | 2014-09-08 | cif/ Updating files of 7031742 Original log message: Adding full bibliography for 7031742.cif. |
7031742.cif |
| 120770 | 2014-07-25 | cif/ Adding structures of 7031742 via cif-deposit CGI script. |
7031742.cif |
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