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Information card for entry 5000295
Preview
| Coordinates | 5000295.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C114 H202 Mn8 O38 |
|---|---|
| Calculated formula | C110 H197 Mn8 N O41 |
| Title of publication | A new synthetic method to Mn carboxylate clusters: reductive fragmentation of [Mn~12~O~12~(O~2~CR)~16~(H~2~O)~4~] to [Mn~8~O~2~(O~2~CR)~14~(RCO~2~H)~4~] (R = CH2But) |
| Authors of publication | Boskovic, Colette; Huffman, John C.; Christou, George |
| Journal of publication | Chemical Communications |
| Year of publication | 2002 |
| Journal issue | 21 |
| Pages of publication | 2502 - 2503 |
| a | 14.7812 ± 0.0004 Å |
| b | 15.0833 ± 0.0004 Å |
| c | 35.2358 ± 0.0009 Å |
| α | 78.7348 ± 0.0012° |
| β | 84.8151 ± 0.0012° |
| γ | 61.9138 ± 0.0006° |
| Cell volume | 6797.2 ± 0.3 Å3 |
| Cell temperature | 117 ± 2 K |
| Ambient diffraction temperature | 117 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for all reflections included in the refinement | 0.0436 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.5095 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 175836 (current) | 2016-02-04 | cif/5/00/ (antanas@echidna.ibt.lt) Updating bibliography for entries 5000290, 5000293, 5000295, 5000298. |
5000295.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
5000295.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
5000295.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
5000295.cif |
| 297 | 2008-03-20 | 25 CIFs fixed. Three of them contained two structures. First one kept and second copied at /home/miguel. Other structure contained duplicated crystal data. See data-problems.txt for more information about these problems. COD is vcif clean now ???????!!!!!!!! |
5000295.cif |
| 184 | 2008-02-29 | 21 files corrected. |
5000295.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
5000295.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
5000295.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
5000295.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
5000295.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
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