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Information card for entry 2312741
Preview
| Coordinates | 2312741.cif |
|---|---|
| Structure factors | 2312741.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3,3'-Bis(ferrocenylcarbonyl)-1,1'-(benzene-1,4-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 | 10.0024 ± 0.0011 Å |
| b | 11.7058 ± 0.0013 Å |
| c | 12.3942 ± 0.0014 Å |
| α | 87.781 ± 0.002° |
| β | 69.633 ± 0.002° |
| γ | 82.005 ± 0.002° |
| Cell volume | 1347.2 ± 0.3 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 | 0.044 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.0929 |
| Weighted residual factors for all reflections included in the refinement | 0.0969 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
2312741.cif 2312741.hkl |
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Users of the data should acknowledge the original authors of the
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