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Information card for entry 4336774
Preview
| Coordinates | 4336774.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [CrCyclam(C2MeEDT-TTF)2][ReO4]2(PhBr)3 |
|---|---|
| Formula | C50 H53 Br3 Cr N4 O8 Re2 S12 |
| Calculated formula | C50 H53 Br3 Cr N4 O8 Re2 S12 |
| Title of publication | A Series of Weak Ferromagnets Based on a Chromium-Acetylide-TTF Type Complex: Correlation of the Structures and Magnetic Properties and Origin of the Weak Ferromagnetism |
| Authors of publication | Junichi Nishijo; Masaya Enomoto |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 13263 - 13268 |
| a | 32.9818 ± 0.0023 Å |
| b | 12.3182 ± 0.0008 Å |
| c | 16.4384 ± 0.0011 Å |
| α | 90° |
| β | 103.756 ± 0.0019° |
| γ | 90° |
| Cell volume | 6487 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0705 |
| Residual factor for significantly intense reflections | 0.0594 |
| Weighted residual factors for significantly intense reflections | 0.1699 |
| Weighted residual factors for all reflections included in the refinement | 0.1918 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.143 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4336774.cif |
| 179470 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/67. |
4336774.cif |
| 102791 | 2014-02-22 | cif/ Adding structures of 4336774 via cif-deposit CGI script. |
4336774.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.