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Information card for entry 1540639
Preview
| Coordinates | 1540639.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H70 Li2 N4 O2 |
|---|---|
| Calculated formula | C50 H70 Li2 N4 O2 |
| SMILES | [Li]12([O]3CCCC3)[N](C3CCCCC3)=C(C#Cc3ccccc3)[N]1(C1CCCCC1)[Li]1([O]3CCCC3)[N](C3CCCCC3)=C(C#Cc3ccccc3)[N]12C1CCCCC1 |
| Title of publication | New Lanthanide Alkynylamidinates and Diiminophosphinates |
| Authors of publication | Sroor, Farid; Hrib, Cristian; Edelmann, Frank |
| Journal of publication | Inorganics |
| Year of publication | 2015 |
| Journal volume | 3 |
| Journal issue | 4 |
| Pages of publication | 429 |
| a | 9.8768 ± 0.0003 Å |
| b | 10.2082 ± 0.0003 Å |
| c | 11.6883 ± 0.0004 Å |
| α | 104.144 ± 0.003° |
| β | 90.248 ± 0.003° |
| γ | 104.209 ± 0.002° |
| Cell volume | 1105.18 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0403 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.0964 |
| Weighted residual factors for all reflections included in the refinement | 0.0974 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 170843 (current) | 2015-12-06 | cif/ Adding structures of 1540639 via cif-deposit CGI script. |
1540639.cif |
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Users of the data should acknowledge the original authors of the
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