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Information card for entry 7004780
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| Coordinates | 7004780.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Thorium-1,3-adamantanediacetate oxyfluoride mononitrate |
|---|---|
| Chemical name | Thorium-1,3-adamantanediacetate oxyfluoride mononitrate |
| Formula | C42 H54 F5 N O15 Th3 |
| Calculated formula | C42 H54 F5.189 N O15 Th3 |
| Title of publication | Synthesis, structure, and characterization of a new thorium‒organic framework material, Th3F5[(C10H14)(CH2CO2)2]3(NO3) |
| Authors of publication | Ok, Kang Min; O'Hare, Dermot |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 41 |
| Pages of publication | 5560 - 5562 |
| a | 21.247 ± 0.003 Å |
| b | 21.247 ± 0.003 Å |
| c | 21.247 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9592 ± 2 Å3 |
| Cell temperature | 150 ± 0.2 K |
| Ambient diffraction temperature | 150 ± 0.2 K |
| Number of distinct elements | 6 |
| Space group number | 205 |
| Hermann-Mauguin space group symbol | P a -3 |
| Hall space group symbol | -P 2ac 2ab 3 |
| Residual factor for all reflections | 0.1249 |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for significantly intense reflections | 0.0894 |
| Weighted residual factors for all reflections included in the refinement | 0.111 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.952 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179751 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/47. |
7004780.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7004780.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7004780.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7004780.cif |
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