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Information card for entry 7129930
Preview
Coordinates | 7129930.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H77 Ca Cu6 N6 O33 S6 V |
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Calculated formula | C40.9998 H48 Ca Cu6 N6 O30.9996 S6 V0.9999 |
Title of publication | Epoxidation vs. dehydrogenation of allylic alcohols: Heterogenization of the VO(acac)2 catalyst in a metal-organic framework |
Authors of publication | Negro, Cristina; Bilanin Artigado, Cristina; Qu, Xiaoni; Oliver-Meseguer, Judit; Ferrando-Soria, Jesús; Leyva-Perez, Antonio; Armentano, Donatella; Pardo, Emilio |
Journal of publication | Chemical Communications |
Year of publication | 2022 |
a | 17.8884 ± 0.0017 Å |
b | 17.8884 ± 0.0017 Å |
c | 12.8853 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 3570.8 ± 0.6 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 8 |
Space group number | 173 |
Hermann-Mauguin space group symbol | P 63 |
Hall space group symbol | P 6c |
Residual factor for all reflections | 0.1332 |
Residual factor for significantly intense reflections | 0.0775 |
Weighted residual factors for significantly intense reflections | 0.2076 |
Weighted residual factors for all reflections included in the refinement | 0.2493 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7129930.html
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