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Information card for entry 4341885
Preview
| Coordinates | 4341885.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C378 H444 Cu12 N56 O95 |
|---|---|
| Calculated formula | C378 H444 Cu12 N56 O95 |
| Title of publication | Dicarboxylate Recognition Properties of a Dinuclear Copper(II) Cryptate. |
| Authors of publication | Mateus, Pedro; Delgado, Rita; André, Vânia; Duarte, M. Teresa |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 1 |
| Pages of publication | 229 - 240 |
| a | 23.0525 ± 0.0011 Å |
| b | 23.0525 ± 0.0011 Å |
| c | 68.656 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 31597 ± 3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.1943 |
| Residual factor for significantly intense reflections | 0.1024 |
| Weighted residual factors for significantly intense reflections | 0.2889 |
| Weighted residual factors for all reflections included in the refinement | 0.331 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179521 (current) | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/18. |
4341885.cif |
| 130601 | 2015-02-04 | cif/ Updating files of 4341885, 4341886 Original log message: Adding full bibliography for 4341885--4341886.cif. |
4341885.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 {}' |
4341885.cif |
| 128608 | 2014-12-13 | cif/ Adding structures of 4341885, 4341886 via cif-deposit CGI script. |
4341885.cif |
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Users of the data should acknowledge the original authors of the
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