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Information card for entry 7029258
Preview
| Coordinates | 7029258.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C133 H133 Cl9 N10 O16 P4 Pt2 |
|---|---|
| Calculated formula | C133 H133 Cl9 N10 O16 P4 Pt2 |
| SMILES | [Pt]1([P](c2ccccc2)(c2ccccc2)CCOCCOCCOCCNC(=O)c2nc(ccc2)C(=O)NCCOCCOCCOCC[P]1(c1ccccc1)c1ccccc1)(C#Cc1ccc(cc1)C#N)C#Cc1ccc(cc1)C#N.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
| Title of publication | Organometallic turnstiles: acid and base locking and unlocking. |
| Authors of publication | Zigon, Nicolas; Kyritsakas, Nathalie; Hosseini, Mir Wais |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 1 |
| Pages of publication | 152 - 157 |
| a | 17.336 ± 0.0004 Å |
| b | 21.4653 ± 0.0005 Å |
| c | 21.4776 ± 0.0004 Å |
| α | 113.84 ± 0.001° |
| β | 104.115 ± 0.001° |
| γ | 102.168 ± 0.001° |
| Cell volume | 6644.6 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.093 |
| Residual factor for significantly intense reflections | 0.0556 |
| Weighted residual factors for significantly intense reflections | 0.1403 |
| Weighted residual factors for all reflections included in the refinement | 0.1605 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179998 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/92. |
7029258.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 {}' |
7029258.cif |
| 105560 | 2014-03-12 | cif/ Adding structures of 7029258, 7029259 via cif-deposit CGI script. |
7029258.cif |
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Users of the data should acknowledge the original authors of the
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