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Information card for entry 7130734
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7130734.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Sc2BDC3 |
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Formula | C13.8 H10.3 O6 Sc |
Calculated formula | C12 H6 O6 Sc |
Title of publication | Pressure and Guest-Mediated Pore Shape Modification in a Small Pore MOF to 1200 bar |
Authors of publication | McMonagle, Charles J.; Turner, Gemma; Jones, Isabelle; Allan, David Robert; Warren, Mark R.; Kamenev, K.; Parsons, Simon; Wright, Paul; Moggach, Stephen A. |
Journal of publication | Chemical Communications |
Year of publication | 2022 |
a | 8.7518 ± 0.0005 Å |
b | 20.7136 ± 0.0012 Å |
c | 34.2831 ± 0.0017 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6214.9 ± 0.6 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 K |
Cell measurement pressure | 60000 kPa |
Ambient diffracton pressure | 60000 kPa |
Number of distinct elements | 4 |
Space group number | 70 |
Hermann-Mauguin space group symbol | F d d d :2 |
Hall space group symbol | -F 2uv 2vw |
Residual factor for all reflections | 0.043 |
Residual factor for significantly intense reflections | 0.036 |
Weighted residual factors for all reflections | 0.0982 |
Weighted residual factors for significantly intense reflections | 0.0949 |
Weighted residual factors for all reflections included in the refinement | 0.0982 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9972 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.6889 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7130734.html
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Users of the data should acknowledge the original authors of the
structural data.