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Information card for entry 7216309
Preview
| Coordinates | 7216309.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H35 B3 Cl2 Cu3 F12 N3 S6 |
|---|---|
| Calculated formula | C19 H35 B3 Cl2 Cu3 F12 N3 S6 |
| Title of publication | Supermolecular coordination isomers: synthesis and crystal structures of four new one-dimensional copper(i) coordination polymers with 1,3-dithiane |
| Authors of publication | Knaust, Jacqueline M.; Keller, Steven W. |
| Journal of publication | CrystEngComm |
| Year of publication | 2003 |
| Journal volume | 5 |
| Journal issue | 81 |
| Pages of publication | 459 |
| a | 12.1164 ± 0.0017 Å |
| b | 16.379 ± 0.002 Å |
| c | 19.486 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3867.1 ± 0.9 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0974 |
| Residual factor for significantly intense reflections | 0.0572 |
| Weighted residual factors for significantly intense reflections | 0.142 |
| Weighted residual factors for all reflections included in the refinement | 0.1621 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198632 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' 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 524 files were changed. |
7216309.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7216309.cif |
| 115362 | 2014-06-03 | cif/ Adding structures of 7216306, 7216307, 7216308, 7216309 via cif-deposit CGI script. |
7216309.cif |
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Users of the data should acknowledge the original authors of the
structural data.