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Information card for entry 4310131
Preview
| Coordinates | 4310131.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | ((1-(2',4',6'-triisopropylbiphenyl-2)) (3-(2,4,6,2'',4'',6''-hexamethyl-1,1':3';1''-terphenyl-2')) (triazenido-N,N'))(pentafluorophenyl)ytterbium(II) |
|---|---|
| Formula | C51 H52 F5 N3 Yb |
| Calculated formula | C51 H52 F5 N3 Yb |
| SMILES | [Yb]1([N](=NN1c1c(cccc1)c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(F)c(F)c(F)c(F)c1F |
| Title of publication | Stabilization of Unsolvated Europium and Ytterbium Pentafluorophenyls by π-Bonding Encapsulation through a Sterically Crowded Triazenido Ligand |
| Authors of publication | Sven-Oliver Hauber; Mark Niemeyer |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 8644 - 8646 |
| a | 9.077 ± 0.0018 Å |
| b | 11.114 ± 0.002 Å |
| c | 23.416 ± 0.005 Å |
| α | 96.91 ± 0.03° |
| β | 93.71 ± 0.03° |
| γ | 106.93 ± 0.03° |
| Cell volume | 2231 ± 0.9 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.081 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.0928 |
| Weighted residual factors for all reflections included in the refinement | 0.1026 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.136 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179140 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/01. |
4310131.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4310131.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4310131.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4310131.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4310131.cif |
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Users of the data should acknowledge the original authors of the
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