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Information card for entry 4314548
Preview
| Coordinates | 4314548.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C96 H214 F84 Mn12 N20 O49 P14 |
|---|---|
| Calculated formula | C96 H214 F84 Mn12 N20 O49 P14 |
| Title of publication | Electronic and Magnetic Study of Polycationic Mn12 Single-Molecule Magnets with a Ground Spin State S = 11 |
| Authors of publication | Juan Modesto Clemente-Juan; Eugenio Coronado; Alicia Forment-Aliaga; Alejandro Gaita-Ariño; Carlos Giménez-Saiz; Francisco M. Romero; Wolfgang Wernsdorfer; R. Biagi; V. Corradini |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 386 - 396 |
| a | 20.787 ± 0.0004 Å |
| b | 18.319 ± 0.0004 Å |
| c | 31.128 ± 0.0007 Å |
| α | 90° |
| β | 117.073 ± 0.001° |
| γ | 90° |
| Cell volume | 10554.6 ± 0.4 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.1304 |
| Residual factor for significantly intense reflections | 0.0853 |
| Weighted residual factors for significantly intense reflections | 0.2284 |
| Weighted residual factors for all reflections included in the refinement | 0.2723 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 192782 (current) | 2017-03-02 | cod/ (antanas@echidna.ibt.lt) Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the cod-tools repository (rev. 5004). The correction was mainly focused on removing misspelt versions of the '_publ_contact_author' loop data items. |
4314548.cif |
| 179221 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/45. |
4314548.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4314548.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4314548.cif |
| 17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
4314548.cif |
| 7691 | 2011-02-02 | ../uploads/cif-deposit/cod/cif Adding structures of 4314548 via cif-deposit CGI script. |
4314548.cif |
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