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Information card for entry 1573739
Preview
| Coordinates | 1573739.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42.5 H48 Cl5 Cu6 F3 N4 O2 S8 |
|---|---|
| Calculated formula | C40 H43 Cu6 F3 N4 O2 S8 |
| Title of publication | Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations |
| Authors of publication | Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 24.6205 ± 0.0009 Å |
| b | 17.0084 ± 0.0007 Å |
| c | 22.4482 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9400.3 ± 0.6 Å3 |
| Cell temperature | 273.15 K |
| Ambient diffraction temperature | 273.15 K |
| Number of distinct elements | 8 |
| Space group number | 74 |
| Hermann-Mauguin space group symbol | I m m a |
| Hall space group symbol | -I 2b 2 |
| Residual factor for all reflections | 0.0961 |
| Residual factor for significantly intense reflections | 0.0796 |
| Weighted residual factors for significantly intense reflections | 0.1768 |
| Weighted residual factors for all reflections included in the refinement | 0.1862 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297424 (current) | 2025-01-23 | cif/ Adding structures of 1573735, 1573736, 1573737, 1573738, 1573739, 1573740, 1573741 via cif-deposit CGI script. |
1573739.cif |
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Users of the data should acknowledge the original authors of the
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