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Information card for entry 4341352
Preview
| Coordinates | 4341352.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H48 Ba Cu4 I6 O10 |
|---|---|
| Calculated formula | C22 H48 Ba Cu4 I6 O10 |
| SMILES | [O](=C(C)C)[Ba]123456([O]=C(C)C)([O](C)CC[O]1CC[O]2CC[O]3C)[O](C)CC[O]4CC[O]5CC[O]6C.[I]1[Cu]2345[I][Cu]6784[I][Cu]4137[I][Cu]584([I]2)[I]6 |
| Title of publication | Novel barium-organic incorporated iodometalates: do they have template properties for constructing rare heterotrimetallic hybrids? |
| Authors of publication | Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 21 |
| Pages of publication | 11721 - 11731 |
| a | 17.793 ± 0.002 Å |
| b | 15.172 ± 0.001 Å |
| c | 17.927 ± 0.002 Å |
| α | 90° |
| β | 113.34 ± 0.01° |
| γ | 90° |
| Cell volume | 4443.5 ± 0.8 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1221 |
| Residual factor for significantly intense reflections | 0.0764 |
| Weighted residual factors for all reflections | 0.1602 |
| Weighted residual factors for significantly intense reflections | 0.1289 |
| Weighted residual factors for all reflections included in the refinement | 0.1602 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9898 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4341352.cif |
| 126959 | 2014-11-12 | cif/ Updating files of 4341352, 4341353, 4341354, 4341355, 4341356, 4341357, 4341358, 4341359, 4341360, 4341361, 4341362 Original log message: Adding full bibliography for 4341352--4341362.cif. |
4341352.cif |
| 125748 | 2014-10-23 | cif/ Adding structures of 4341352 via cif-deposit CGI script. |
4341352.cif |
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Users of the data should acknowledge the original authors of the
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