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Information card for entry 7032797
Preview
| Coordinates | 7032797.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H68 Al2 N6 O40 U2 |
|---|---|
| Calculated formula | C36 H68 Al2 N6 O40 U2 |
| SMILES | C1(=O)C23CC4[O]5[U]678([O]2[Al]29(O1)([O]6C(C(=O)O7)(CC(=O)O9)CC(=O)O2)OC(=O)C3)(=O)(=O)[O]1C(CC23C(=O)O[Al]679([O]2[U]251([O]6C(C(=O)O2)(CC(=O)O9)CC(=O)O7)(=O)([O]=4)=O)OC(=O)C3)=[O]8.[NH2+]1CC[NH2+]CC1.[NH2+]1CC[NH2+]CC1.O.O.O.O.[NH2+]1CC[NH2+]CC1.O.O.O.O |
| Title of publication | Structural characterization of environmentally relevant ternary uranyl citrate complexes present in aqueous solutions and solid state materials. |
| Authors of publication | Basile, Madeline; Unruh, Daniel K.; Flores, Erin; Johns, Adam; Forbes, Tori Z. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 6 |
| Pages of publication | 2597 - 2605 |
| a | 9.4451 ± 0.001 Å |
| b | 30.53 ± 0.003 Å |
| c | 9.7188 ± 0.0011 Å |
| α | 90° |
| β | 95.311 ± 0.003° |
| γ | 90° |
| Cell volume | 2790.5 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0396 |
| Residual factor for significantly intense reflections | 0.0252 |
| Weighted residual factors for significantly intense reflections | 0.048 |
| Weighted residual factors for all reflections included in the refinement | 0.0524 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180033 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/27. |
7032797.cif |
| 133346 | 2015-03-06 | cif/ Updating files of 7032797, 7032798, 7032799, 7032800, 7032801 Original log message: Adding full bibliography for 7032797--7032801.cif. |
7032797.cif |
| 125344 | 2014-10-15 | cif/ Adding structures of 7032797, 7032798, 7032799, 7032800, 7032801 via cif-deposit CGI script. |
7032797.cif |
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Users of the data should acknowledge the original authors of the
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