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Information card for entry 4341271
Preview
| Coordinates | 4341271.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H46 Cl4 N2 O2 P2 U |
|---|---|
| Calculated formula | C52 H46 Cl4 N2 O2 P2 U |
| SMILES | c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.N#CC.O=[U](Cl)(Cl)(=O)(Cl)Cl.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.N#CC |
| Title of publication | Lattice Solvent and Crystal Phase Effects on the Vibrational Spectra of UO2Cl4(2-). |
| Authors of publication | Schnaars, David D.; Wilson, Richard E. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 20 |
| Pages of publication | 11036 - 11045 |
| a | 10.1875 ± 0.0007 Å |
| b | 10.967 ± 0.0007 Å |
| c | 12.5027 ± 0.0008 Å |
| α | 65.361 ± 0.001° |
| β | 84.735 ± 0.001° |
| γ | 75.403 ± 0.001° |
| Cell volume | 1228.57 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0295 |
| Residual factor for significantly intense reflections | 0.0276 |
| Weighted residual factors for significantly intense reflections | 0.0524 |
| Weighted residual factors for all reflections included in the refinement | 0.0531 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179515 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/12. |
4341271.cif |
| 126913 | 2014-11-12 | cif/ Updating files of 4341268, 4341269, 4341270, 4341271, 4341272, 4341273 Original log message: Adding full bibliography for 4341268--4341273.cif. |
4341271.cif |
| 125236 | 2014-10-10 | cif/ Adding structures of 4341268, 4341269, 4341270, 4341271, 4341272, 4341273 via cif-deposit CGI script. |
4341271.cif |
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Users of the data should acknowledge the original authors of the
structural data.