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Information card for entry 7018175
Preview
| Coordinates | 7018175.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C98 H148 N4 Na O14 Y |
|---|---|
| Calculated formula | C98 H148 N4 Na O14 Y |
| SMILES | [N]12([Y]34(Oc5c(cc(C)cc5C[N]4(Cc4cc(C)cc(C(C)(C)C)c4O3)CCN3Cc4c(OC3)c(cc(C)c4)C(C)(C)C)C(C)(C)C)(Oc3c(C1)cc(C)cc3C(C)(C)C)Oc1c(C2)cc(cc1C(C)(C)C)C)CCN1COc2c(C(C)(C)C)cc(cc2C1)C.C1CCC[O]1[Na]12345([O]6CCCC6)[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6 |
| Title of publication | Synthesis and characterization of benzoxazine-functionalized amine bridged bis(phenolate) lanthanide complexes and their application in the ring-opening polymerization of cyclic esters. |
| Authors of publication | Liang, Zhenhua; Ni, Xufeng; Li, Xue; Shen, Zhiquan |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 9 |
| Pages of publication | 2812 - 2819 |
| a | 16.6199 ± 0.0005 Å |
| b | 18.4971 ± 0.0006 Å |
| c | 19.0982 ± 0.0007 Å |
| α | 88.399 ± 0.003° |
| β | 81.357 ± 0.003° |
| γ | 75.77 ± 0.002° |
| Cell volume | 5626.1 ± 0.3 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0781 |
| Residual factor for significantly intense reflections | 0.0545 |
| Weighted residual factors for significantly intense reflections | 0.1554 |
| Weighted residual factors for all reflections included in the refinement | 0.1701 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7018175.cif |
| 179885 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/81. |
7018175.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7018175.cif |
| 37673 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 7018172, 7018173, 7018174, 7018175, 7018176 via cif-deposit CGI script. |
7018175.cif |
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Users of the data should acknowledge the original authors of the
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