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Information card for entry 7038707
Preview
| Coordinates | 7038707.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 3-Y |
|---|---|
| Chemical name | [(C5H4Me)2Y]2(μ-η2:η2-N2) |
| Formula | C32 H44 N2 O2 Y2 |
| Calculated formula | C32 H44 N2 O2 Y2 |
| SMILES | [cH]12[cH]3[cH]4[cH]5[c]1(C)[Y]167892345([cH]2[cH]1[cH]6[cH]7[c]82C)([N]1=[N]9[Y]234567891([cH]1[cH]2[cH]3[cH]4[c]51C)([cH]1[cH]6[cH]7[cH]8[c]91C)[O]1CCCC1)[O]1CCCC1 |
| Title of publication | Raman spectroscopy of the N-N bond in rare earth dinitrogen complexes. |
| Authors of publication | Fieser, Megan E.; Woen, David H.; Corbey, Jordan F.; Mueller, Thomas J.; Ziller, Joseph W.; Evans, William J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 37 |
| Pages of publication | 14634 - 14644 |
| a | 11.91 ± 0.0009 Å |
| b | 10.0376 ± 0.0007 Å |
| c | 12.6988 ± 0.0009 Å |
| α | 90° |
| β | 95.7802 ± 0.0009° |
| γ | 90° |
| Cell volume | 1510.4 ± 0.19 Å3 |
| Cell temperature | 88 ± 2 K |
| Ambient diffraction temperature | 88 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0226 |
| Residual factor for significantly intense reflections | 0.0193 |
| Weighted residual factors for significantly intense reflections | 0.0443 |
| Weighted residual factors for all reflections included in the refinement | 0.0453 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187134 (current) | 2016-10-08 | cif/ Updating files of 7038699, 7038700, 7038701, 7038702, 7038703, 7038704, 7038705, 7038706, 7038707, 7038708 Original log message: Adding full bibliography for 7038699--7038708.cif. |
7038707.cif |
| 177621 | 2016-03-05 | cif/ Adding structures of 7038699, 7038700, 7038701, 7038702, 7038703, 7038704, 7038705, 7038706, 7038707, 7038708 via cif-deposit CGI script. |
7038707.cif |
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Users of the data should acknowledge the original authors of the
structural data.