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Information card for entry 4072052
Preview
| Coordinates | 4072052.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H37 Y |
|---|---|
| Calculated formula | C29 H37 Y |
| SMILES | C[c]12[c]3(C)[c]4([Y]56789%10%1113([c]4([c]25C)C)([c]1([c]6([c]7([c]8([c]91C)C)C)C)C)[CH2]=[C]%10=C%11c1ccccc1)C |
| 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 | 16.4646 ± 0.0009 Å |
| b | 10.5009 ± 0.0006 Å |
| c | 14.7315 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2547 ± 0.2 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 3 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0417 |
| Residual factor for significantly intense reflections | 0.0297 |
| Weighted residual factors for significantly intense reflections | 0.0637 |
| Weighted residual factors for all reflections included in the refinement | 0.0685 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| 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. |
4072052.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072052.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072052.cif |
| 44199 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072052 via cif-deposit CGI script. |
4072052.cif |
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Users of the data should acknowledge the original authors of the
structural data.