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Information card for entry 7215043
Preview
| Coordinates | 7215043.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H60 Co2 N12 O21 |
|---|---|
| Calculated formula | C27 H58 Co2 N12 O21 |
| Title of publication | A hydrogen-bonded and π‒π assembled 3D supramolecular network, [Co(en)3]·1.5(C5O5), with 1D microporous hydrophilic channels showing reversible water ad/de-sorption property |
| Authors of publication | Wang, Chih-Chieh; Yeh, Chang-Tsung; Cheng, Yi-Ting; Chen, I-Hsuan; Lee, Gene-Hsiang; Shih, Wei-Ju; Sheu, Hwo-Shuenn; Fedorov, Vladimir E. |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 14 |
| Pages of publication | 4637 |
| a | 29.964 ± 0.002 Å |
| b | 16.0632 ± 0.0013 Å |
| c | 8.618 ± 0.0007 Å |
| α | 90° |
| β | 101.391 ± 0.002° |
| γ | 90° |
| Cell volume | 4066.3 ± 0.5 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.1024 |
| Residual factor for significantly intense reflections | 0.0655 |
| Weighted residual factors for significantly intense reflections | 0.1641 |
| Weighted residual factors for all reflections included in the refinement | 0.1936 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180481 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/50. |
7215043.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 {}' |
7215043.cif |
| 111022 | 2014-04-20 | cif/ Adding structures of 7215043 via cif-deposit CGI script. |
7215043.cif |
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Users of the data should acknowledge the original authors of the
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