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Information card for entry 1565836
Preview
Coordinates | 1565836.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H14 Fe N4 |
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Calculated formula | C12 H14.0004 Fe N4 |
Title of publication | Multivariate sodalite zeolitic imidazolate frameworks: a direct solvent-free synthesis |
Authors of publication | López-Cabrelles, Javier; Miguel-Casañ, Eugenia; Esteve-Rochina, María; Andres-Garcia, Eduardo; Vitórica-Yrezábal, Iñigo J.; Calbo, Joaquín; Mínguez Espallargas, Guillermo |
Journal of publication | Chemical Science |
Year of publication | 2022 |
Journal volume | 13 |
Journal issue | 3 |
Pages of publication | 842 - 847 |
a | 17.317 ± 0.0001 Å |
b | 17.317 ± 0.0001 Å |
c | 17.317 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5193 ± 0.05 Å3 |
Cell temperature | 120 ± 0.1 K |
Ambient diffraction temperature | 120 ± 0.1 K |
Number of distinct elements | 4 |
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 | 0.0482 |
Residual factor for significantly intense reflections | 0.0317 |
Weighted residual factors for significantly intense reflections | 0.0908 |
Weighted residual factors for all reflections included in the refinement | 0.098 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1565836.html
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Users of the data should acknowledge the original authors of the
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