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Information card for entry 4308110
Preview
| Coordinates | 4308110.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C90 H148 N4 Na4 O10 |
|---|---|
| Calculated formula | C90 H148 N4 Na4 O10 |
| SMILES | [Na]123[O]4[Na]([O]5CCCC5)([O]5CCCC5)[O]2c2c(cc(cc2C[N]23C[N]3([Na]56[O](c7c(cc(cc7C[N]75C[N]1(CC7)Cc1c4c(cc(c1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)[Na]([O]6c1c(cc(cc1C3)C(C)(C)C)C(C)(C)C)([O]1CCCC1)[O]1CCCC1)CC2)C(C)(C)C)C(C)(C)C.O1CCCC1.O1CCCC1 |
| Title of publication | Synthesis, Reactivity, and Structural Characterization of Sodium and Ytterbium Complexes Containing New Imidazolidine-Bridged Bis(phenolato) Ligands |
| Authors of publication | Xiaoping Xu; Yingming Yao; Yong Zhang; Qi Shen |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Pages of publication | 3743 - 3751 |
| a | 10.4123 ± 0.0018 Å |
| b | 15.53 ± 0.0018 Å |
| c | 15.9655 ± 0.0019 Å |
| α | 66.699 ± 0.011° |
| β | 85.856 ± 0.016° |
| γ | 78.656 ± 0.015° |
| Cell volume | 2324.7 ± 0.6 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 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 | 0.1172 |
| Residual factor for significantly intense reflections | 0.0817 |
| Weighted residual factors for significantly intense reflections | 0.2042 |
| Weighted residual factors for all reflections included in the refinement | 0.2279 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| 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. |
4308110.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4308110.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4308110.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4308110.cif |
| 1194 | 2010-06-06 | cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory. |
4308110.cif |
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Users of the data should acknowledge the original authors of the
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