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Information card for entry 4511560
Preview
| Coordinates | 4511560.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H24 Cd Cl2 N12 O12 |
|---|---|
| Calculated formula | C12 H24 Cd Cl2 N12 O12 |
| Title of publication | Self-Assembly of Right-Handed Helical Infinite Chain, One- and Two-Dimensional Coordination Polymers Tuned via Anions |
| Authors of publication | Yi, Long; Yang, Xing; Lu, Tongbu; Cheng, Peng |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2005 |
| Journal volume | 5 |
| Journal issue | 3 |
| Pages of publication | 1215 |
| a | 8.404 ± 0.003 Å |
| b | 8.618 ± 0.003 Å |
| c | 10.385 ± 0.003 Å |
| α | 66.379 ± 0.004° |
| β | 76.161 ± 0.005° |
| γ | 77.081 ± 0.004° |
| Cell volume | 662.2 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0577 |
| Residual factor for significantly intense reflections | 0.0518 |
| Weighted residual factors for significantly intense reflections | 0.1387 |
| Weighted residual factors for all reflections included in the refinement | 0.1451 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179662 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/15. |
4511560.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 {}' |
4511560.cif |
| 119741 | 2014-07-08 | cif/ Adding structures of 4511560 via cif-deposit CGI script. |
4511560.cif |
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Users of the data should acknowledge the original authors of the
structural data.