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Information card for entry 4117304
Preview
| Coordinates | 4117304.cif |
|---|---|
| Structure factors | 4117304.hkl |
| Original paper (by DOI) | HTML |
| Formula | C12 H0 O31 U3 |
|---|---|
| Calculated formula | C12 O30.9998 U3 |
| Title of publication | Uranyl and/or Rare-Earth Mellitates in Extended Organic-Inorganic Networks: A Unique Case of Heterometallic Cation-Cation Interaction with UVI=O-LnIII Bonding (Ln = Ce, Nd) |
| Authors of publication | Christophe Volkringer; Natacha Henry; Stéphane Grandjean; Thierry Loiseau |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2012 |
| Journal volume | 134 |
| Pages of publication | 1275 - 1283 |
| a | 11.531 ± 0.0003 Å |
| b | 11.531 ± 0.0003 Å |
| c | 6.8198 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 785.3 ± 0.04 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 164 |
| Hermann-Mauguin space group symbol | P -3 m 1 |
| Hall space group symbol | -P 3 2" |
| Residual factor for all reflections | 0.0478 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.0788 |
| Weighted residual factors for all reflections included in the refinement | 0.0792 |
| Goodness-of-fit parameter for significantly intense reflections | 5.57 |
| Goodness-of-fit parameter for all reflections included in the refinement | 5.46 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
4117304.cif 4117304.hkl |
| 181929 | 2016-04-07 | hkl/4/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in subrange 4/11. |
4117304.cif 4117304.hkl |
| 180708 | 2016-04-02 | hkl/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4117304.cif 4117304.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4117304.cif 4117304.hkl |
| 74395 | 2013-02-26 | cif/ hkl/ Updating files of 4117304 Original log message: Adding Fobs data. |
4117304.cif 4117304.hkl |
| 74374 | 2013-02-26 | cif/ Adding structures of 4117304 via cif-deposit CGI script. |
4117304.cif |
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Users of the data should acknowledge the original authors of the
structural data.