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Information card for entry 7029217
Preview
| Coordinates | 7029217.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H32 N2 O2 |
|---|---|
| Calculated formula | C30 H32 N2 O2 |
| SMILES | c1(ccncc1)C#Cc1c(cc(c(c1)OC[C@H](CC)C)C#Cc1ccncc1)OC[C@H](CC)C |
| Title of publication | Molecular tectonics: enantiomerically pure 1D stair-type mercury coordination networks based on rigid bismonodentate C2-chiral organic tectons. |
| Authors of publication | Larpent, Patrick; Jouaiti, Abdelaziz; 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 | 166 - 172 |
| a | 15.097 ± 0.001 Å |
| b | 4.9256 ± 0.0003 Å |
| c | 17.5598 ± 0.0012 Å |
| α | 90° |
| β | 100.365 ± 0.002° |
| γ | 90° |
| Cell volume | 1284.47 ± 0.15 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0831 |
| Residual factor for significantly intense reflections | 0.0522 |
| Weighted residual factors for significantly intense reflections | 0.1069 |
| Weighted residual factors for all reflections included in the refinement | 0.1237 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| 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. |
7029217.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 {}' |
7029217.cif |
| 105543 | 2014-03-12 | cif/ Adding structures of 7029214, 7029215, 7029216, 7029217 via cif-deposit CGI script. |
7029217.cif |
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Users of the data should acknowledge the original authors of the
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