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Information card for entry 4321187
Preview
| Coordinates | 4321187.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C66 H107 B O11 Yb Zr2 |
|---|---|
| Calculated formula | C66 H107 B O11 Yb Zr2 |
| SMILES | [Yb]123([O]4(C(C)C)[Zr]5([O]1(C(C)C)[Zr]4([O]2C(C)C)([O]5C(C)C)(OC(C)C)OC(C)C)([O]3C(C)C)(OC(C)C)OC(C)C)([O]1CCCC1)[O]1CCCC1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)C |
| Title of publication | Synthesis of Arene-Soluble Dizirconium Nonaisopropoxide Lanthanide Cations Involving Divalent Ytterbium |
| Authors of publication | William J. Evans; Matthew A. Johnston; Joseph W. Ziller |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2000 |
| Journal volume | 39 |
| Pages of publication | 3421 - 3423 |
| a | 16.2654 ± 0.0007 Å |
| b | 19.833 ± 0.0009 Å |
| c | 21.6504 ± 0.001 Å |
| α | 90° |
| β | 91.773 ± 0.001° |
| γ | 90° |
| Cell volume | 6980.9 ± 0.5 Å3 |
| Cell temperature | 158 K |
| Ambient diffraction temperature | 158 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0337 |
| Residual factor for significantly intense reflections | 0.0254 |
| Weighted residual factors for significantly intense reflections | 0.0559 |
| Weighted residual factors for all reflections included in the refinement | 0.0588 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4321187.cif |
| 179314 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/11. |
4321187.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4321187.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4321187.cif |
| 18536 | 2011-05-01 | ../uploads/cif-deposit/cod/cif Adding structures of 4321187 via cif-deposit CGI script. |
4321187.cif |
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