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Information card for entry 7034483
Preview
| Coordinates | 7034483.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C51 H52 B2 F8 N8 O5 Zn |
|---|---|
| Calculated formula | C51 H52 B2 F8 N8 O5 Zn |
| SMILES | [Zn]1234([n]5c(cc(cc5c5[n]2cccc5)c2ccc(N(CCO)CCO)cc2)c2[n]1cccc2)[n]1c(cc(cc1c1[n]4cccc1)c1ccc(N(CCO)CCO)cc1)c1[n]3cccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].OC |
| Title of publication | Study of the one-photon and two-photon properties of two water-soluble terpyridines and their zinc complexes. |
| Authors of publication | Shi, Pengfei; Jiang, Qin; Zhao, Xuesong; Zhang, Qiong; Tian, Yupeng |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 17 |
| Pages of publication | 8041 - 8048 |
| a | 12.1579 ± 0.0009 Å |
| b | 14.2028 ± 0.0015 Å |
| c | 15.1132 ± 0.0016 Å |
| α | 89.697 ± 0.009° |
| β | 82.362 ± 0.008° |
| γ | 71.041 ± 0.008° |
| Cell volume | 2444.2 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.113 |
| Residual factor for significantly intense reflections | 0.0764 |
| Weighted residual factors for significantly intense reflections | 0.1714 |
| Weighted residual factors for all reflections included in the refinement | 0.1984 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| 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. |
7034483.cif |
| 180050 | 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 7/03/44. |
7034483.cif |
| 138759 | 2015-06-07 | cif/ Updating files of 7034481, 7034482, 7034483, 7034484 Original log message: Adding full bibliography for 7034481--7034484.cif. |
7034483.cif |
| 134174 | 2015-03-20 | cif/ Adding structures of 7034481, 7034482, 7034483, 7034484 via cif-deposit CGI script. |
7034483.cif |
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