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Information card for entry 4501710
Preview
| Coordinates | 4501710.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H52 Mo6 N2 O35 |
|---|---|
| Calculated formula | C40 H48 Mo6 N2 O35 |
| SMILES | C1Oc2ccccc2OCCOCCOc2ccccc2OCCOC1.[NH4+].[NH4+].O1[Mo]234([O]5678[Mo]9%10(O4)(O[Mo]415(O[Mo]16(O[Mo]7(O3)(O9)(O[Mo]8(O2)(O1)(=O)O4)=O)(O%10)=O)=O)=O)=O.c1cccc2OCCOCCOc3ccccc3OCCOCCOc12.O.O.O.O |
| Title of publication | Supramolecular Architectures from Ammonium-Crown Ether Inclusion Complexes in Polyoxometalate Association: Synthesis, Structure, and Spectroscopy |
| Authors of publication | Chatterjee, Tanmay; Sarma, Monima; Das, Samar K. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2010 |
| Journal volume | 10 |
| Journal issue | 7 |
| Pages of publication | 3149 |
| a | 22.4502 ± 0.0014 Å |
| b | 11.7332 ± 0.0007 Å |
| c | 22.0464 ± 0.0014 Å |
| α | 90° |
| β | 90.845 ± 0.001° |
| γ | 90° |
| Cell volume | 5806.7 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0817 |
| Residual factor for significantly intense reflections | 0.0599 |
| Weighted residual factors for significantly intense reflections | 0.1211 |
| Weighted residual factors for all reflections included in the refinement | 0.1312 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179548 (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 4/50/17. |
4501710.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 {}' |
4501710.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4501710.cif |
| 36047 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 4501708, 4501709, 4501710, 4501711, 4501712 via cif-deposit CGI script. |
4501710.cif |
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Users of the data should acknowledge the original authors of the
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