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Information card for entry 7032779
Preview
| Coordinates | 7032779.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C62 H42 F6 Fe N6 O8 S2 |
|---|---|
| Calculated formula | C62 H42 F6 Fe N6 O8 S2 |
| SMILES | [Fe]1234([n]5ccccc5c5cc(cc(c6cccc[n]26)[n]15)c1ccc(cc1)C#Cc1ccc(cc1)OC)[n]1ccccc1c1cc(cc(c2cccc[n]42)[n]31)c1ccc(cc1)C#Cc1ccc(cc1)OC.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-] |
| Title of publication | Synthesis, structure and photophysical properties of a highly luminescent terpyridine-diphenylacetylene hybrid fluorophore and its metal complexes. |
| Authors of publication | Ghosh, Biswa Nath; Topić, Filip; Sahoo, Prasit Kumar; Mal, Prasenjit; Linnera, Jarno; Kalenius, Elina; Tuononen, Heikki M.; Rissanen, Kari |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 1 |
| Pages of publication | 254 - 267 |
| a | 11.213 ± 0.0003 Å |
| b | 13.354 ± 0.0004 Å |
| c | 19.9336 ± 0.0007 Å |
| α | 79.993 ± 0.0016° |
| β | 87.9424 ± 0.0018° |
| γ | 65.3545 ± 0.0016° |
| Cell volume | 2669.42 ± 0.15 Å3 |
| Cell temperature | 123 ± 0.1 K |
| Ambient diffraction temperature | 123 ± 0.1 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 | 0.0935 |
| Residual factor for significantly intense reflections | 0.0556 |
| Weighted residual factors for significantly intense reflections | 0.1082 |
| Weighted residual factors for all reflections included in the refinement | 0.1257 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7032779.cif |
| 180033 | 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 7/03/27. |
7032779.cif |
| 131059 | 2015-02-04 | cif/ Updating files of 7032778, 7032779, 7032780, 7032781, 7032782 Original log message: Adding full bibliography for 7032778--7032782.cif. |
7032779.cif |
| 125196 | 2014-10-10 | cif/ Adding structures of 7032778, 7032779, 7032780, 7032781, 7032782 via cif-deposit CGI script. |
7032779.cif |
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Users of the data should acknowledge the original authors of the
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