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Information card for entry 4341354
Preview
| Coordinates | 4341354.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H44 Ba Cu2 I4 O10 |
|---|---|
| Calculated formula | C20 H44 Ba Cu2 I4 O10 |
| SMILES | [Ba]12345678([O](C)CC[O]1CC[O]2CC[O]3CC[O]4C)[O](C)CC[O]5CC[O]6CC[O]7CC[O]8C.I[Cu]12[I][Cu]2(I)[I]1 |
| 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 | 10.9605 ± 0.0006 Å |
| b | 13.4534 ± 0.0007 Å |
| c | 13.4631 ± 0.0007 Å |
| α | 89.678 ± 0.004° |
| β | 89.152 ± 0.004° |
| γ | 89.445 ± 0.004° |
| Cell volume | 1984.87 ± 0.18 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0998 |
| Residual factor for significantly intense reflections | 0.0905 |
| Weighted residual factors for all reflections | 0.2262 |
| Weighted residual factors for significantly intense reflections | 0.2227 |
| Weighted residual factors for all reflections included in the refinement | 0.2262 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9846 |
| 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. |
4341354.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. |
4341354.cif |
| 125750 | 2014-10-23 | cif/ Adding structures of 4341354 via cif-deposit CGI script. |
4341354.cif |
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Users of the data should acknowledge the original authors of the
structural data.