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Information card for entry 4067383
Preview
| Coordinates | 4067383.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H50 Li2 N2 O2 Si2 |
|---|---|
| Calculated formula | C25 H50 Li2 N2 O2 Si2 |
| SMILES | CC(C)(C)[N]12[Li]([O]3CCCC3)[N]([Li]1[O]1CCCC1)([Si](C1([Si]2(C)C)C=CC=C1)(C)C)C(C)(C)C |
| Title of publication | Regioselective Synthesis of 1,2- and 1,3-Di(silylamido)cyclopentadienyl Zirconium Complexes |
| Authors of publication | Sudupe, María; Cano, Jesús; Royo, Pascual; Mosquera, Marta E. G.; Frutos, Luis M.; Castaño, Obis |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 1 |
| Pages of publication | 263 |
| a | 10.394 ± 0.002 Å |
| b | 14.923 ± 0.004 Å |
| c | 19.5851 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3037.8 ± 1 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0915 |
| Residual factor for significantly intense reflections | 0.0582 |
| Weighted residual factors for significantly intense reflections | 0.1333 |
| Weighted residual factors for all reflections included in the refinement | 0.1484 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301829 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
4067383.cif |
| 178564 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/73. |
4067383.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067383.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067383.cif |
| 34181 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067383, 4067384, 4067385 via cif-deposit CGI script. |
4067383.cif |
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