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Information card for entry 4112780
Preview
| Coordinates | 4112780.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (Tp)Fe(CN)3Cu(MeOH)(CN)3Fe(Tp),2(MeOH) |
|---|---|
| Formula | C27 H32 B2 Cu Fe2 N18 O3 |
| Calculated formula | C27 H32 B2 Cu Fe2 N18 O3 |
| Title of publication | The Observation of Superparamagnetic Behavior in Molecular Nanowires |
| Authors of publication | Shi Wang; Jing-Lin Zuo; Song Gao; You Song; Hong-Cai Zhou; Yuan-Zhu Zhang; Xiao-Zeng You |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2004 |
| Journal volume | 126 |
| Pages of publication | 8900 - 8901 |
| a | 15.0248 ± 0.0009 Å |
| b | 19.0019 ± 0.0012 Å |
| c | 13.4159 ± 0.0008 Å |
| α | 90° |
| β | 100.556 ± 0.001° |
| γ | 90° |
| Cell volume | 3765.4 ± 0.4 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0597 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.0796 |
| Weighted residual factors for all reflections included in the refinement | 0.0825 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178898 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/27. |
4112780.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4112780.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4112780.cif |
| 65193 | 2012-09-05 | cif/ Adding structures of 4112780 via cif-deposit CGI script. |
4112780.cif |
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