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Information card for entry 7018174
Preview
| Coordinates | 7018174.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C86 H124 Er N4 Na O8 |
|---|---|
| Calculated formula | C86 H124 Er N4 Na O8 |
| SMILES | C(CN1Cc2c(OC1)c(cc(c2)C)C(C)(C)C)[N]12[Er]34(Oc5c(C1)cc(cc5C(C)(C)C)C)([N](CCN1Cc5c(OC1)c(cc(c5)C)C(C)(C)C)(Cc1c(c(cc(c1)C)C(C)(C)C)O4)Cc1c([O]34)c(cc(c1)C)C(C)(C)C)[O](c1c(cc(cc1C2)C)C(C)(C)C)[Na]4([O]1CCCC1)[O]1CCCC1 |
| 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 | 32.2263 ± 0.0009 Å |
| b | 12.5493 ± 0.0002 Å |
| c | 27.4684 ± 0.0008 Å |
| α | 90° |
| β | 117.893 ± 0.004° |
| γ | 90° |
| Cell volume | 9818.1 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0298 |
| Residual factor for significantly intense reflections | 0.0271 |
| Weighted residual factors for significantly intense reflections | 0.0817 |
| Weighted residual factors for all reflections included in the refinement | 0.0831 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7018174.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. |
7018174.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7018174.cif |
| 37673 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 7018172, 7018173, 7018174, 7018175, 7018176 via cif-deposit CGI script. |
7018174.cif |
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