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Information card for entry 4512239
Preview
| Coordinates | 4512239.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H26 Co3 I12 N2 O12 |
|---|---|
| Calculated formula | C52 H26 Co3 I12 N2 O12 |
| Title of publication | Halogen···Halogen Interactions in the Assembly of High-Dimensional Supramolecular Coordination Polymers Based on 3,5-Diiodobenzoic Acid |
| Authors of publication | Li, Bo; Dong, Ming-Ming; Fan, Hui-Tao; Feng, Chao-Qiang; Zang, Shuang-Quan; Wang, Li-Ya |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 12 |
| Pages of publication | 6325 |
| a | 8.8418 ± 0.0004 Å |
| b | 12.4503 ± 0.0007 Å |
| c | 15.9648 ± 0.0007 Å |
| α | 68.773 ± 0.005° |
| β | 81.465 ± 0.004° |
| γ | 89.139 ± 0.004° |
| Cell volume | 1618.65 ± 0.15 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 | 0.0718 |
| Residual factor for significantly intense reflections | 0.0568 |
| Weighted residual factors for significantly intense reflections | 0.1142 |
| Weighted residual factors for all reflections included in the refinement | 0.1214 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179669 (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 4/51/22. |
4512239.cif |
| 131340 | 2015-02-07 | cif/ Updating files of 4512233, 4512234, 4512235, 4512236, 4512237, 4512238, 4512239, 4512240, 4512241 Original log message: Adding full bibliography for 4512233--4512241.cif. |
4512239.cif |
| 126250 | 2014-11-05 | cif/ Adding structures of 4512233, 4512234, 4512235, 4512236, 4512237, 4512238, 4512239, 4512240, 4512241 via cif-deposit CGI script. |
4512239.cif |
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Users of the data should acknowledge the original authors of the
structural data.