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Information card for entry 4301908
Preview
| Coordinates | 4301908.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H20 F24 N8 O2 U |
|---|---|
| Calculated formula | C28 H20 F24 N8 O2 U |
| SMILES | [n]12[U]345([n]6c(C(F)(F)F)cc([n]46)C(F)(F)F)(n4c(C(F)(F)F)cc([n]54)C(F)(F)F)([n]4c(cc(C(F)(F)F)[n]34)C(F)(F)F)([n]2c(cc1C(F)(F)F)C(F)(F)F)([O]1CCCC1)[O]1CCCC1 |
| Title of publication | Magnetic Exchange Coupling in Actinide-Containing Molecules |
| Authors of publication | Jeffrey D. Rinehart; T. David Harris; Stosh A. Kozimor; Bart M. Bartlett; Jeffrey R. Long |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2009 |
| Journal volume | 48 |
| Pages of publication | 3382 - 3395 |
| a | 12.743 ± 0.006 Å |
| b | 16.736 ± 0.008 Å |
| c | 17.799 ± 0.009 Å |
| α | 90° |
| β | 90.899 ± 0.007° |
| γ | 90° |
| Cell volume | 3795 ± 3 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 138 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0516 |
| Residual factor for significantly intense reflections | 0.0342 |
| Weighted residual factors for significantly intense reflections | 0.0664 |
| Weighted residual factors for all reflections included in the refinement | 0.0716 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.953 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270822 (current) | 2021-11-23 | cif/4: Fixing Z values and formulae |
4301908.cif |
| 179057 | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/19. |
4301908.cif |
| 134573 | 2015-04-01 | cod/ (robertas@burundukas) The 'cif_fix_values' script was applied on the CIF files, which had notes in the COD database's table 'validations' generated by the 'cif_validate' validator about misspelling of the enumerable values of the data item '_symmetry_cell_setting'. There was used the option '--fix-only-misspelled'. And there were used 'cif_filter' later in the pipe. Read the log for more details. There were 595 distinct CIF files which had messages from validator. The 'cif_fix_values' script generated 417 messages about corrected misspelled values of enumerators to the log file. Some messages were generated by 'cif_filter' and some changes by the 'cif_filter' were done without messaging to the log file. The 'cif_fix_value' script corrected the enumerators of all data items presented in the file for the replacement of the misspelled values. |
4301908.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4301908.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4301908.cif |
| 1054 | 2010-03-28 | cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing. |
4301908.cif |
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Users of the data should acknowledge the original authors of the
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