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Information card for entry 2312740
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| Coordinates | 2312740.cif |
|---|---|
| Structure factors | 2312740.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3,3'-Bis(ferrocenylcarbonyl)-1,1'-(benzene-1,3-diyl)bis(thiourea) |
|---|---|
| Formula | C30 H26 Fe2 N4 O2 S2 |
| Calculated formula | C30 H26 Fe2 N4 O2 S2 |
| Title of publication | Synthesis and diverse crystal packing in o-, m- and p-bis(carbonylthioureido)benzenes containing bisferrocenes. |
| Authors of publication | Duan, Xin E.; Jiang, Ze Jin; Tong, Hong Bo; Bai, Sheng Di |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | 2 |
| a | 8.424 ± 0.003 Å |
| b | 31.266 ± 0.017 Å |
| c | 10.566 ± 0.005 Å |
| α | 90° |
| β | 94.2 ± 0.04° |
| γ | 90° |
| Cell volume | 2775 ± 2 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 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 | 0.1149 |
| Residual factor for significantly intense reflections | 0.0981 |
| Weighted residual factors for significantly intense reflections | 0.1778 |
| Weighted residual factors for all reflections included in the refinement | 0.1832 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.388 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297452 (current) | 2025-01-24 | cif/ hkl/ Adding structures of 2312739, 2312740, 2312741 via cif-deposit CGI script. |
2312740.cif 2312740.hkl |
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Users of the data should acknowledge the original authors of the
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