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Information card for entry 1569401
Preview
Coordinates | 1569401.cif |
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Original paper (by DOI) | HTML |
Common name | GUF-1 |
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Formula | C36.2 H35.2 O14.2 Sc2 |
Calculated formula | C33.7 H24.8 O10 Sc2 |
Title of publication | Pressure-induced postsynthetic cluster anion substitution in a MIL-53 topology scandium metal-organic framework. |
Authors of publication | Thom, Alexander J. R.; Turner, Gemma F.; Davis, Zachary H.; Ward, Martin R.; PakamorÄ—, Ignas; Hobday, Claire L.; Allan, David R.; Warren, Mark R.; Leung, Wai L. W.; Oswald, Iain D. H.; Morris, Russell E.; Moggach, Stephen A.; Ashbrook, Sharon E.; Forgan, Ross S. |
Journal of publication | Chemical science |
Year of publication | 2023 |
Journal volume | 14 |
Journal issue | 28 |
Pages of publication | 7716 - 7724 |
a | 7.038 ± 0.0015 Å |
b | 22.061 ± 0.006 Å |
c | 13.652 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2119.7 ± 0.8 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 K |
Cell measurement pressure | 4600000 kPa |
Ambient diffracton pressure | 4600000 kPa |
Number of distinct elements | 4 |
Space group number | 67 |
Hermann-Mauguin space group symbol | C m m a |
Hall space group symbol | -C 2a 2 |
Residual factor for all reflections | 0.1225 |
Residual factor for significantly intense reflections | 0.1003 |
Weighted residual factors for significantly intense reflections | 0.2767 |
Weighted residual factors for all reflections included in the refinement | 0.2932 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
Diffraction radiation wavelength | 0.4589 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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