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Information card for entry 4309166
Preview
| Coordinates | 4309166.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C76 H122 O12 Yb2 |
|---|---|
| Calculated formula | C76 H122 O12 Yb2 |
| SMILES | c12c(cc(cc1Cc1c(c(cc(c1)C)C(C)(C)C)O[Yb]1(O2)([O](C(C)C)[Yb]2(Oc3c(cc(cc3Cc3c(c(cc(c3)C)C(C)(C)C)O2)C)C(C)(C)C)([O]1C(C)C)([O]1CCCC1)[O]1CCCC1)([O]1CCCC1)[O]1CCCC1)C)C(C)(C)C.O1CCCC1.O1CCCC1 |
| Title of publication | Carbon-Bridged Bis(phenolato)lanthanide Alkoxides: Syntheses, Structures, and Their Application in the Controlled Polymerization of ε-Caprolactone |
| Authors of publication | Yingming Yao; Xiaoping Xu; Bao Liu; Yong Zhang; Qi Shen; Wing-Tak Wong |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 5133 - 5140 |
| a | 13.3352 ± 0.001 Å |
| b | 17.8296 ± 0.0012 Å |
| c | 15.7714 ± 0.0012 Å |
| α | 90° |
| β | 92.996 ± 0.004° |
| γ | 90° |
| Cell volume | 3744.7 ± 0.5 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0444 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.0899 |
| Weighted residual factors for all reflections included in the refinement | 0.0911 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.223 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4309166.cif |
| 179129 | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/91. |
4309166.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309166.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309166.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). |
4309166.cif |
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