Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4309165
Preview
| Coordinates | 4309165.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C76 H122 Nd2 O12 |
|---|---|
| Calculated formula | C76 H122 Nd2 O12 |
| SMILES | c12c(cc(cc1Cc1c(c(cc(c1)C)C(C)(C)C)O[Nd]1(O2)([O](C(C)C)[Nd]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 | 13.723 ± 0.005 Å |
| b | 17.247 ± 0.006 Å |
| c | 16.279 ± 0.006 Å |
| α | 90° |
| β | 93.8 ± 0.004° |
| γ | 90° |
| Cell volume | 3844 ± 2 Å3 |
| Cell temperature | 193.1 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 significantly intense reflections | 0.066 |
| Weighted residual factors for all reflections included in the refinement | 0.134 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| 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. |
4309165.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4309165.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309165.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309165.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). |
4309165.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.