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Information card for entry 4072051
Preview
| Coordinates | 4072051.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H42 La N |
|---|---|
| Calculated formula | C34 H42 La N |
| SMILES | [La]123456789%10([n]%11ccccc%11)([c]%11([c]4([c]3([c]2([c]1%11C)C)C)C)C)([c]1([c]5([c]6([c]7([c]81C)C)C)C)C)C[CH]9=[CH]%10c1ccccc1 |
| Title of publication | Synthesis, Structure, and Reactivity of Rare-Earth Metallocene η3-Propargyl/Allenyl Complexes |
| Authors of publication | Quiroga Norambuena, Victor F.; Heeres, André; Heeres, Hero J.; Meetsma, Auke; Teuben, Jan H.; Hessen, Bart |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 21 |
| Pages of publication | 5672 |
| a | 8.7176 ± 0.0004 Å |
| b | 9.651 ± 0.0004 Å |
| c | 18.4634 ± 0.0009 Å |
| α | 78.405 ± 0.001° |
| β | 87.337 ± 0.001° |
| γ | 72.103 ± 0.001° |
| Cell volume | 1447.86 ± 0.11 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0377 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for significantly intense reflections | 0.0642 |
| Weighted residual factors for all reflections included in the refinement | 0.0666 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178609 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/20. |
4072051.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072051.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072051.cif |
| 44198 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072051 via cif-deposit CGI script. |
4072051.cif |
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Users of the data should acknowledge the original authors of the
structural data.