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Information card for entry 7061206
Preview
| Coordinates | 7061206.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H78.5 La3 N11 O42 |
|---|---|
| Calculated formula | C31 H71.5 La3 N11 O38.5 |
| SMILES | [La]12345678([O]9[La]%10%11%12%13([O]%14[La]%15%16%17%18%19%20([O]1C(O3)=[O]%17)([O]=C%14C[N]%10(CC[N]%11(CC(=O)O%13)CC(=O)O%12)CC9=[O]2)OC(=O)C[N]%15(CC[N]%16(CC(=O)O%20)CC(=O)O%18)CC(=O)O%19)([OH2])([OH2])[OH2])OC(=O)C[N]8(CC[N]7(CC(=O)O4)CC(=O)O6)CC(=O)O5.[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].O.O.O.O.O.O.O.O.O |
| Title of publication | Highly water-soluble dimeric and trimeric lanthanide carbonates with ethylenediaminetetraacetates as precursors of catalysts for the oxidative coupling reaction of methane |
| Authors of publication | Lin, Rong-Yan; Shi, Yan-Ru; Hou, Yu-Hui; Xia, Wen-Sheng; Weng, Wei-Zheng; Zhou, Zhao-Hui |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2022 |
| Journal volume | 46 |
| Journal issue | 8 |
| Pages of publication | 3707 - 3715 |
| a | 13.8336 ± 0.0005 Å |
| b | 17.251 ± 0.0005 Å |
| c | 27.2896 ± 0.0007 Å |
| α | 94.969 ± 0.002° |
| β | 97.482 ± 0.002° |
| γ | 99.709 ± 0.003° |
| Cell volume | 6325.1 ± 0.3 Å3 |
| Cell temperature | 143 ± 0.1 K |
| Ambient diffraction temperature | 143 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0725 |
| Residual factor for significantly intense reflections | 0.0501 |
| Weighted residual factors for significantly intense reflections | 0.0978 |
| Weighted residual factors for all reflections included in the refinement | 0.1066 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273385 (current) | 2022-03-05 | cif/ Updating files of 7061206, 7061207, 7061208, 7061209, 7061210 Original log message: Adding full bibliography for 7061206--7061210.cif. |
7061206.cif |
| 272147 | 2022-01-20 | cif/ Adding structures of 7061206, 7061207, 7061208, 7061209, 7061210 via cif-deposit CGI script. |
7061206.cif |
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Users of the data should acknowledge the original authors of the
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