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Information card for entry 4509587
Preview
| Coordinates | 4509587.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C84 H60 Cl2 Cu4 N14 O64 P2 W18 |
|---|---|
| Calculated formula | C84 H56 Cl2 Cu4 N14 O64 P2 W18 |
| Title of publication | Assembly of Organic−Inorganic Hybrid Materials Based on Dawson-Type Polyoxometalate and Multinuclear Copper−Phen Complexes with Unique Magnetic Properties |
| Authors of publication | Zhang, Chun-Dan; Liu, Shu-Xia; Sun, Chun-Yan; Ma, Feng-Ji; Su, Zhong-Min |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2009 |
| Journal volume | 9 |
| Journal issue | 8 |
| Pages of publication | 3655 |
| a | 14.062 ± 0.001 Å |
| b | 27.3886 ± 0.0019 Å |
| c | 16.7526 ± 0.0012 Å |
| α | 90° |
| β | 113.109 ± 0.001° |
| γ | 90° |
| Cell volume | 5934.4 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0916 |
| Residual factor for significantly intense reflections | 0.0603 |
| Weighted residual factors for significantly intense reflections | 0.1424 |
| Weighted residual factors for all reflections included in the refinement | 0.1618 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179631 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/95. |
4509587.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 {}' |
4509587.cif |
| 97380 | 2014-01-29 | cif/ Adding structures of 4509587 via cif-deposit CGI script. |
4509587.cif |
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