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Information card for entry 7031779
Preview
| Coordinates | 7031779.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H24 N2 Ni O10 |
|---|---|
| Calculated formula | C17.7 H17 N2 Ni O8 |
| Title of publication | Two coordination polymers constructed from a multidentate carboxylic acid ligand with a tertiary amine serve as acid-base catalysts for the synthesis of chloropropene carbonate from CO2 under atmospheric pressure. |
| Authors of publication | Chen, Chao; Zhang, Jun; Li, Guanghua; Shen, Pan; Jin, Haichao; Zhang, Ning |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 37 |
| Pages of publication | 13965 - 13971 |
| a | 9.9158 ± 0.0002 Å |
| b | 27.7237 ± 0.0005 Å |
| c | 7.4582 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2050.28 ± 0.06 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 63 |
| Hermann-Mauguin space group symbol | C m c m |
| Hall space group symbol | -C 2c 2 |
| Residual factor for all reflections | 0.0476 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.12 |
| Weighted residual factors for all reflections included in the refinement | 0.1422 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180023 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/17. |
7031779.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 {}' |
7031779.cif |
| 123487 | 2014-09-08 | cif/ Updating files of 7031778, 7031779 Original log message: Adding full bibliography for 7031778--7031779.cif. |
7031779.cif |
| 120872 | 2014-07-29 | cif/ Adding structures of 7031778, 7031779 via cif-deposit CGI script. |
7031779.cif |
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