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Information card for entry 7121717
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Coordinates | 7121717.cif |
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Original paper (by DOI) | HTML |
Chemical name | Zr12_acetate_solvate |
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Formula | C51.2 H86.4 O71.2 Zr12 |
Calculated formula | C51.2 H86.4 O71.2 Zr12 |
Title of publication | Green and rapid mechanosynthesis of high-porosity NU- and UiO-type metal-organic frameworks. |
Authors of publication | Fidelli, Athena M.; Karadeniz, Bahar; Howarth, Ashlee J.; Huskić, Igor; Germann, Luzia S.; Halasz, Ivan; Etter, Martin; Moon, Su-Young; Dinnebier, Robert E.; Stilinović, Vladimir; Farha, Omar K.; Friščić, Tomislav; UŽarević, Krunoslav |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2018 |
Journal volume | 54 |
Journal issue | 51 |
Pages of publication | 6999 - 7002 |
a | 12.5793 ± 0.0008 Å |
b | 15.7491 ± 0.0008 Å |
c | 16.7679 ± 0.0013 Å |
α | 116.322 ± 0.006° |
β | 93.693 ± 0.006° |
γ | 106.969 ± 0.005° |
Cell volume | 2774.1 ± 0.4 Å3 |
Cell temperature | 118 ± 2 K |
Ambient diffraction temperature | 118 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0962 |
Residual factor for significantly intense reflections | 0.0657 |
Weighted residual factors for significantly intense reflections | 0.1595 |
Weighted residual factors for all reflections included in the refinement | 0.1855 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7121717.html
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Users of the data should acknowledge the original authors of the
structural data.