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Information card for entry 4128747
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Coordinates | 4128747.cif |
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Original paper (by DOI) | HTML |
Common name | ZIF-4-hPT-II |
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Chemical name | catena-(tetrakis(μ2-Imidazolato-N,N')-di-zinc(ii) clathrate) |
Formula | C6 H6 N4 Zn |
Calculated formula | C6 H6 N4 Zn |
Title of publication | Rich Polymorphism of a Metal-Organic Framework in Pressure-Temperature Space. |
Authors of publication | Widmer, Remo N.; Lampronti, Giulio I.; Chibani, Siwar; Wilson, Craig W.; Anzellini, Simone; Farsang, Stefan; Kleppe, Annette K.; Casati, Nicola P. M.; MacLeod, Simon G.; Redfern, Simon A. T.; Coudert, François-Xavier; Bennett, Thomas D. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 23 |
Pages of publication | 9330 - 9337 |
a | 13.49627 Å |
b | 9.884103 Å |
c | 9.164619 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1222.55 Å3 |
Cell temperature | 563 K |
Ambient diffraction temperature | 563 K |
Ambient diffracton pressure | 810000 kPa |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.046 |
Goodness-of-fit parameter for all reflections | 0.0832 |
Method of determination | powder diffraction |
Diffraction radiation wavelength | 0.4246 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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