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Information card for entry 7033816
Preview
Coordinates | 7033816.cif |
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Original paper (by DOI) | HTML |
Formula | C62 H54 Cu5 N23 O6 |
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Calculated formula | C62 H54 Cu5 N23 O6 |
Title of publication | The copper(i) metal azolate framework showing unusual coordination mode for the 1,2,4-triazole derivative and photocatalytic activity. |
Authors of publication | Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Shao, Kui-Zhan; Su, Zhong-Min |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 9 |
Pages of publication | 3954 - 3958 |
a | 20.777 ± 0.005 Å |
b | 20.777 ± 0.005 Å |
c | 13.715 ± 0.005 Å |
α | 90 ± 0.005° |
β | 90 ± 0.005° |
γ | 90 ± 0.005° |
Cell volume | 5921 ± 3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 137 |
Hermann-Mauguin space group symbol | P 42/n m c :2 |
Hall space group symbol | -P 4ac 2a |
Residual factor for all reflections | 0.0944 |
Residual factor for significantly intense reflections | 0.0772 |
Weighted residual factors for significantly intense reflections | 0.1875 |
Weighted residual factors for all reflections included in the refinement | 0.1995 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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