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Information card for entry 4064502
Preview
| Coordinates | 4064502.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H19 Cl Ge N2 O2 |
|---|---|
| Calculated formula | C20 H19 Cl Ge N2 O2 |
| SMILES | [Ge]1(Cl)[N]2=C(OC[C@@H]2c2ccccc2)C(=C2OC[C@@H](N12)c1ccccc1)C |
| Title of publication | Lewis Base Complexes of an Enantiomeric Germanium(II) Cation Bearing a Bis(oxazoline) Ligand |
| Authors of publication | Arii, Hidekazu; Nakadate, Fumiya; Mochida, Kunio; Kawashima, Takayuki |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 17 |
| Pages of publication | 4471 |
| a | 6.4431 ± 0.0007 Å |
| b | 12.1236 ± 0.0013 Å |
| c | 23.887 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1865.9 ± 0.4 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 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 | 0.0299 |
| Residual factor for significantly intense reflections | 0.0271 |
| Weighted residual factors for significantly intense reflections | 0.0617 |
| Weighted residual factors for all reflections included in the refinement | 0.0624 |
| 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 |
|---|---|---|---|
| 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. |
4064502.cif |
| 178539 | 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 4/06/45. |
4064502.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064502.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064502.cif |
| 32931 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4064502, 4064503, 4064504, 4064505, 4064506 via cif-deposit CGI script. |
4064502.cif |
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Users of the data should acknowledge the original authors of the
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