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Information card for entry 4126887
Preview
Coordinates | 4126887.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C8.53 H14.12 N6 O6.53 Zn |
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Calculated formula | C6 H4 N6 O4 Zn |
Title of publication | Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks. |
Authors of publication | Hobday, Claire L.; Bennett, Thomas D.; Fairen-Jimenez, David; Graham, Alexander J.; Morrison, Carole A.; Allan, David R.; Düren, Tina; Moggach, Stephen A. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
a | 17.1533 ± 0.0009 Å |
b | 17.1533 ± 0.0009 Å |
c | 17.1533 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5047.1 ± 0.5 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Ambient diffracton pressure | 2160000 kPa |
Number of distinct elements | 5 |
Space group number | 217 |
Hermann-Mauguin space group symbol | I -4 3 m |
Hall space group symbol | I -4 2 3 |
Residual factor for all reflections | 0.0809 |
Residual factor for significantly intense reflections | 0.0676 |
Weighted residual factors for all reflections | 0.1996 |
Weighted residual factors for significantly intense reflections | 0.1794 |
Weighted residual factors for all reflections included in the refinement | 0.1996 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9228 |
Diffraction radiation wavelength | 0.4895 Å |
Diffraction radiation type | Synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4126887.html
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