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Information card for entry 4331643
Preview
| Coordinates | 4331643.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H130 Cu6 K8 N8 O129 Si2 W22 |
|---|---|
| Calculated formula | C56 H44 Cu6.002 N8 O89 Si2 W21.998 |
| Title of publication | Analysis of Weak Interactions in the Crystal Packing of Inorganic Metalorganic Hybrids Based on Keggin Polyoxometalates and Dinuclear Copper(II)−Acetate Complexes |
| Authors of publication | Reinoso, Santiago; Vitoria, Pablo; Felices, Leire San; Lezama, Luis; Gutiérrez-Zorrilla, Juan M. |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Journal issue | 1 |
| Pages of publication | 108 - 118 |
| a | 47 ± 0.002 Å |
| b | 12.7895 ± 0.0008 Å |
| c | 26.3943 ± 0.0009 Å |
| α | 90° |
| β | 90.27 ± 0.003° |
| γ | 90° |
| Cell volume | 15865.6 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.07 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.0968 |
| Weighted residual factors for all reflections included in the refinement | 0.1029 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.921 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 700 files were changed. |
4331643.cif |
| 179419 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/16. |
4331643.cif |
| 97769 | 2014-01-29 | cif/ Adding structures of 4331642, 4331643 via cif-deposit CGI script. |
4331643.cif |
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Users of the data should acknowledge the original authors of the
structural data.