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Information card for entry 7114446
Preview
| Coordinates | 7114446.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C84 H75 Cu5 N43 O30 |
|---|---|
| Calculated formula | C84 H75 Cu5 N43 O30 |
| Title of publication | An unprecedented 1D ladder coordination polymer based on a pentanuclear copper(ii) 2,4,6-tris(dipyridin-2-ylamino)-1,3,5-triazine building blockElectronic supplementary information (ESI) available: additional characterization data for 1 (µeff vs. T and B curves), TGA, XRD. See http://www.rsc.org/suppdata/cc/b2/b203394a/ |
| Authors of publication | Gamez, Patrick; Hoog, Paul de; Roubeau, Olivier; Lutz, Martin; Driessen, Willem L.; Spek, Anthony L.; Reedijk, Jan |
| Journal of publication | Chemical Communications |
| Year of publication | 2002 |
| Journal issue | 14 |
| Pages of publication | 1488 |
| a | 12.052 ± 0.002 Å |
| b | 14.0863 ± 0.0018 Å |
| c | 16.425 ± 0.004 Å |
| α | 79.047 ± 0.011° |
| β | 73.946 ± 0.015° |
| γ | 82.334 ± 0.011° |
| Cell volume | 2621.2 ± 0.9 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1064 |
| Residual factor for significantly intense reflections | 0.0649 |
| Weighted residual factors for significantly intense reflections | 0.1419 |
| Weighted residual factors for all reflections included in the refinement | 0.161 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 700 files were changed. |
7114446.cif |
| 180258 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/44. |
7114446.cif |
| 116784 | 2014-06-13 | cif/ Adding structures of 7114446 via cif-deposit CGI script. |
7114446.cif |
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Users of the data should acknowledge the original authors of the
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