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Information card for entry 1519687
Preview
| Coordinates | 1519687.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C59 H41 Eu F18 O8 P2 Ru2 |
|---|---|
| Calculated formula | C59 H41 Eu F18 O8 P2 Ru2 |
| SMILES | [Eu]123([O]=P(c4ccccc4)([c]45[Ru]6789%10%11%12([cH]%13[cH]6[cH]7[cH]8[cH]9%13)[cH]4[cH]%12[cH]%11[cH]5%10)c4ccccc4)(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F)([O]=P(c1ccccc1)([c]13[Ru]456789%10([cH]%11[cH]4[cH]5[cH]6[cH]7%11)[cH]1[cH]%10[cH]9[cH]38)c1ccccc1)OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F |
| Title of publication | Enhanced electric dipole transition in lanthanide complex with organometallic ruthenocene units. |
| Authors of publication | Hasegawa, Yasuchika; Sato, Nao; Hirai, Yuichi; Nakanishi, Takayuki; Kitagawa, Yuichi; Kobayashi, Atsushi; Kato, Masako; Seki, Tomohiro; Ito, Hajime; Fushimi, Koji |
| Journal of publication | The journal of physical chemistry. A |
| Year of publication | 2015 |
| Journal volume | 119 |
| Journal issue | 20 |
| Pages of publication | 4825 - 4833 |
| a | 19.8829 ± 0.0006 Å |
| b | 17.3599 ± 0.0006 Å |
| c | 17.7114 ± 0.0007 Å |
| α | 90 ± 0.0013° |
| β | 93.9113 ± 0.0012° |
| γ | 90 ± 0.003° |
| Cell volume | 6099.1 ± 0.4 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0367 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.0887 |
| Weighted residual factors for all reflections included in the refinement | 0.0912 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 138289 (current) | 2015-06-05 | cif/ Updating files of 1519687, 1519688 Original log message: Adding full bibliography for 1519687--1519688.cif. |
1519687.cif |
| 136821 | 2015-05-18 | cif/ Adding structures of 1519687 via cif-deposit CGI script. |
1519687.cif |
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Users of the data should acknowledge the original authors of the
structural data.