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Information card for entry 1550335
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Coordinates | 1550335.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C4 Ca O6 |
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Calculated formula | C4 Ca O5.9999 |
Title of publication | Molecular sieving of ethylene from ethane using a rigid metal-organic framework |
Authors of publication | Rui-Biao Lin; Libo Li; Hao-Long Zhou; Hui Wu; Chaohui He; Shun Li; Rajamani Krishna; Jinping Li; Wei Zhou; Banglin Chen |
Journal of publication | Nature Materials |
Year of publication | 2018 |
Journal volume | 17 |
Pages of publication | 1128 - 1133 |
a | 13.575 ± 0.002 Å |
b | 13.575 ± 0.002 Å |
c | 7.687 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1416.6 ± 0.5 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 3 |
Space group number | 122 |
Hermann-Mauguin space group symbol | I -4 2 d |
Hall space group symbol | I -4 2bw |
Residual factor for all reflections | 0.0632 |
Residual factor for significantly intense reflections | 0.0632 |
Weighted residual factors for significantly intense reflections | 0.1734 |
Weighted residual factors for all reflections included in the refinement | 0.1734 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.225 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
231202 (current) | 2019-11-22 | cif/1/55/ (saulius@koala.ibt.lt) Fixing incorrectly entered DOIs. |
1550335.cif |
212381 | 2018-12-05 | cif/ Adding structures of 1550335 via cif-deposit CGI script. |
1550335.cif |
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Users of the data should acknowledge the original authors of the
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