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Information card for entry 4512074
Preview
Coordinates | 4512074.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | UiO-66 |
---|---|
Chemical name | Zr(IV) terephthalate metal-organic framework |
Formula | C34.32 H17.14 O32.02 Zr6 |
Calculated formula | C34.272 H17.136 O32 Zr6 |
Title of publication | Detailed Structure Analysis of Atomic Positions and Defects in Zirconium Metal‒Organic Frameworks |
Authors of publication | Øien, Sigurd; Wragg, David; Reinsch, Helge; Svelle, Stian; Bordiga, Silvia; Lamberti, Carlo; Lillerud, Karl Petter |
Journal of publication | Crystal Growth & Design |
Year of publication | 2014 |
Journal volume | 14 |
Journal issue | 11 |
Pages of publication | 5370 |
a | 20.7465 ± 0.0002 Å |
b | 20.7465 ± 0.0002 Å |
c | 20.7465 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8929.65 ± 0.15 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 4 |
Space group number | 225 |
Hermann-Mauguin space group symbol | F m -3 m |
Hall space group symbol | -F 4 2 3 |
Residual factor for all reflections | 0.0207 |
Residual factor for significantly intense reflections | 0.0198 |
Weighted residual factors for significantly intense reflections | 0.0601 |
Weighted residual factors for all reflections included in the refinement | 0.0603 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.155 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.76 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179667 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/20. |
4512074.cif |
126822 | 2014-11-11 | cif/ Updating files of 4512072, 4512073, 4512074 Original log message: Adding full bibliography for 4512072--4512074.cif. |
4512074.cif |
124961 | 2014-10-07 | cif/ Adding structures of 4512074 via cif-deposit CGI script. |
4512074.cif |
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Users of the data should acknowledge the original authors of the
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