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Information card for entry 4121958
Preview
Coordinates | 4121958.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29.25 H33 O17.25 Sc2 |
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Calculated formula | C29.2 H12 O17.2 Sc2 |
Title of publication | Stabilization of Scandium Terephthalate MOFs against Reversible Amorphization and Structural Phase Transition by Guest Uptake at Extreme Pressure. |
Authors of publication | Graham, Alexander J.; Banu, Ana-Maria; Düren, Tina; Greenaway, Alex; McKellar, Scott C.; Mowat, John P. S.; Ward, Kenneth; Wright, Paul A.; Moggach, Stephen A. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 24 |
Pages of publication | 8606 - 8613 |
a | 8.8041 ± 0.0015 Å |
b | 20.625 ± 0.002 Å |
c | 34.062 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6185.1 ± 1.5 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
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 | 0.1444 |
Residual factor for significantly intense reflections | 0.0999 |
Weighted residual factors for all reflections | 0.3144 |
Weighted residual factors for significantly intense reflections | 0.2676 |
Weighted residual factors for all reflections included in the refinement | 0.3144 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9051 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4121958.cif |
119146 | 2014-07-05 | cif/ Updating files of 4121943, 4121944, 4121945, 4121946, 4121947, 4121948, 4121949, 4121950, 4121951, 4121952, 4121953, 4121954, 4121955, 4121956, 4121957, 4121958, 4121959, 4121960, 4121961, 4121962 Original log message: Adding full bibliography for 4121943--4121962.cif. |
4121958.cif |
115988 | 2014-06-06 | cif/ Adding structures of 4121958 via cif-deposit CGI script. |
4121958.cif |
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Users of the data should acknowledge the original authors of the
structural data.