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Information card for entry 4070809
Preview
| Coordinates | 4070809.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H65 N4 Sc Si2 |
|---|---|
| Calculated formula | C43 H65 N4 Sc Si2 |
| Title of publication | Scandium and Yttrium Complexes Supported by NNCp Heteroscorpionate Ligands: Synthesis, Structure, and Polymerization of ϵ-Caprolactone |
| Authors of publication | Otero, Antonio; Fernández-Baeza, Juan; Antiñolo, Antonio; Lara-Sánchez, Agustín; Martínez-Caballero, Emilia; Tejeda, Juan; Sánchez-Barba, Luis F.; Alonso-Moreno, Carlos; López-Solera, Isabel |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 5 |
| Pages of publication | 976 |
| a | 12.093 ± 0.002 Å |
| b | 12.191 ± 0.002 Å |
| c | 17.037 ± 0.003 Å |
| α | 83.874 ± 0.003° |
| β | 70.672 ± 0.003° |
| γ | 67.402 ± 0.002° |
| Cell volume | 2187.6 ± 0.6 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0697 |
| Residual factor for significantly intense reflections | 0.0475 |
| Weighted residual factors for significantly intense reflections | 0.1166 |
| Weighted residual factors for all reflections included in the refinement | 0.1334 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178597 (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 4/07/08. |
4070809.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4070809.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070809.cif |
| 42719 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070808, 4070809 via cif-deposit CGI script. |
4070809.cif |
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Users of the data should acknowledge the original authors of the
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