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Information card for entry 7712783
Preview
| Coordinates | 7712783.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | UoC-9(Ca), LT |
|---|---|
| Formula | C122 H130 Ca5 F9 N13 O33 |
| Calculated formula | C122 H130 Ca5 F9 N13 O33 |
| Title of publication | Fluorinated Linkers Enable the Synthesis of Flexible MOFs with 1D Alkaline Earth SBUs and a Temperature-Induced Phase Transition |
| Authors of publication | Ruschewitz, Uwe; Sebastian, Sean; Dicke, Finn P. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 31.6172 ± 0.0008 Å |
| b | 16.5669 ± 0.0004 Å |
| c | 28.5512 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 14955.1 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0452 |
| Residual factor for significantly intense reflections | 0.0412 |
| Weighted residual factors for significantly intense reflections | 0.1087 |
| Weighted residual factors for all reflections included in the refinement | 0.1109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282680 (current) | 2023-04-18 | cif/ Adding structures of 7712780, 7712781, 7712782, 7712783 via cif-deposit CGI script. |
7712783.cif |
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