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Information card for entry 4517881
Preview
Coordinates | 4517881.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H16 Br2 Ni0.4 O17.3 Zr3 |
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Calculated formula | C34 H16 Br2 Ni0.4 O17.3 Zr3 |
Title of publication | Insights into the Structure‒Activity Relationships in Metal‒Organic Framework-Supported Nickel Catalysts for Ethylene Hydrogenation |
Authors of publication | Wang, Xingjie; Zhang, Xuan; Pandharkar, Riddhish; Lyu, Jiafei; Ray, Debmalya; Yang, Ying; Kato, Satoshi; Liu, Jian; Wasson, Megan C.; Islamoglu, Timur; Li, Zhong; Hupp, Joseph T.; Cramer, Christopher J.; Gagliardi, Laura; Farha, Omar K. |
Journal of publication | ACS Catalysis |
Year of publication | 2020 |
Pages of publication | 8995 - 9005 |
a | 39.903 ± 0.006 Å |
b | 39.903 ± 0.006 Å |
c | 12.022 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 16577 ± 4 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200.02 K |
Number of distinct elements | 6 |
Space group number | 191 |
Hermann-Mauguin space group symbol | P 6/m m m |
Hall space group symbol | -P 6 2 |
Residual factor for all reflections | 0.0607 |
Residual factor for significantly intense reflections | 0.0567 |
Weighted residual factors for significantly intense reflections | 0.1802 |
Weighted residual factors for all reflections included in the refinement | 0.1869 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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