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Information card for entry 3000592
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| Coordinates | 3000592.cif |
|---|
| Formula | C28 H28 Cu F6 N4 O6 S2 |
|---|---|
| Calculated formula | C28 H28 Cu F6 N4 O6 S2 |
| Title of publication | Structural Characterization of a Desolvated Flexible Porous Coordination Polymer using MicroED |
| Authors of publication | Shin-ichiro Noro |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2026 |
| Journal volume | 26 |
| Pages of publication | 438 |
| a | 8.81 ± 0.003 Å |
| b | 17.268 ± 0.004 Å |
| c | 10.929 ± 0.004 Å |
| α | 90° |
| β | 96.22 ± 0.03° |
| γ | 90° |
| Cell volume | 1652.9 ± 0.9 Å3 |
| Cell temperature | 79 K |
| Ambient diffraction temperature | 79 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1441 |
| Residual factor for significantly intense reflections | 0.0875 |
| Weighted residual factors for significantly intense reflections | 0.2002 |
| Weighted residual factors for all reflections included in the refinement | 0.2169 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.92 |
| Diffraction radiation probe | electron |
| Diffraction radiation wavelength | 0.02508 Å |
| Diffraction radiation type | electron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 305932 (current) | 2026-05-12 | cif/ Updating files of 3000592 Original log message: Releasing structure 3000592 into public domain as published material. |
3000592.cif |
| 298314 | 2025-03-07 | cif/ Adding structures of 3000592 via cif-deposit CGI script. |
3000592.cif |
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