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Information card for entry 4307052
Preview
| Coordinates | 4307052.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H48 Br K Nd2 O52 S14 W6 |
|---|---|
| Calculated formula | C14 Br K Nd2 O52 S14 W6 |
| Title of publication | Triangular Oxalate Clusters [W3(μ3-S)(μ2-S2)3(C2O4)3]2- as Building Blocks for Coordination Polymers and Nanosized Complexes |
| Authors of publication | Maxim N. Sokolov; Artem L. Gushchin; Konstantin A. Kovalenko; Eugenia V. Peresypkina; Alexander V. Virovets; Joaquin Sanchiz; Vladimir P. Fedin |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Pages of publication | 2115 - 2123 |
| a | 21.9015 ± 0.0004 Å |
| b | 18.8307 ± 0.0004 Å |
| c | 16.3162 ± 0.0003 Å |
| α | 90° |
| β | 99.249 ± 0.001° |
| γ | 90° |
| Cell volume | 6641.7 ± 0.2 Å3 |
| Cell temperature | 90 ± 0.5 K |
| Ambient diffraction temperature | 90 ± 0.5 K |
| Number of distinct elements | 8 |
| 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 | 0.0517 |
| Residual factor for significantly intense reflections | 0.0359 |
| Weighted residual factors for significantly intense reflections | 0.0828 |
| Weighted residual factors for all reflections included in the refinement | 0.0896 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179108 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/70. |
4307052.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 {}' |
4307052.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4307052.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4307052.cif |
| 1194 | 2010-06-06 | cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory. |
4307052.cif |
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Users of the data should acknowledge the original authors of the
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