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Information card for entry 4118712
Preview
| Coordinates | 4118712.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H60 Cl9 N16 O5 Yb3 |
|---|---|
| Calculated formula | C72 H60 Cl9 N16 O5 Yb3 |
| SMILES | [Yb]1234567([O]=n8c9c%10cccc(C[N]%116Cc6cccc(c%12cccc(C[N]7(Cc7cccc(c%13cccc(C%11)[n]5%13)[n]47)Cc8ccc9)[n]2%12)[n]36)n%10=[O]1)Cl.[Yb]1234567([O]=n8c9c%10cccc(C[N]%116Cc6cccc(c%12cccc(C[N]5(Cc8ccc9)Cc5cccc(c8cccc(C%11)[n]38)[n]25)[n]4%12)[n]76)n%10=[O]1)Cl.[Yb]([OH2])(Cl)(Cl)(Cl)(Cl)Cl.[Cl-].[Cl-] |
| Title of publication | Understanding the Quenching Effects of Aromatic C-H- and C-D-Oscillators in Near-IR Lanthanoid Luminescence |
| Authors of publication | Christine Doffek; Nicola Alzakhem; Caroline Bischof; Jessica Wahsner; Tuba Güden-Silber; Joachim Lügger; Carlos Platas-Iglesias; Michael Seitz |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2012 |
| Journal volume | 134 |
| Pages of publication | 16413 - 16423 |
| a | 17.768 ± 0.008 Å |
| b | 26.809 ± 0.011 Å |
| c | 34.069 ± 0.014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 16229 ± 12 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.253 |
| Residual factor for significantly intense reflections | 0.1561 |
| Weighted residual factors for significantly intense reflections | 0.3685 |
| Weighted residual factors for all reflections included in the refinement | 0.4357 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178958 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/87. |
4118712.cif |
| 76265 | 2013-03-17 | cif/ Adding structures of 4118712 via cif-deposit CGI script. |
4118712.cif |
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Users of the data should acknowledge the original authors of the
structural data.