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Information card for entry 4117964
Preview
Coordinates | 4117964.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H52 Cd3 Cu N6 O16 |
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Calculated formula | C52 H52 Cd3 Cu N6 O16 |
Title of publication | Interplay of Metalloligand and Organic Ligand to Tune Micropores within Isostructural Mixed-Metal Organic Frameworks (M'MOFs) for Their Highly Selective Separation of Chiral and Achiral Small Molecules |
Authors of publication | Madhab C. Das; Qunsheng Guo; Yabing He; Jaheon Kim; Cong-Gui Zhao; Kunlun Hong; Shengchang Xiang; Zhangjing Zhang; K. Mark Thomas; Rajamani Krishna; Banglin Chen |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2012 |
Journal volume | 134 |
Pages of publication | 8703 - 8710 |
a | 40.537 ± 0.003 Å |
b | 10.192 ± 0.0008 Å |
c | 18.2312 ± 0.0013 Å |
α | 90° |
β | 95.188 ± 0.002° |
γ | 90° |
Cell volume | 7501.4 ± 1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0891 |
Residual factor for significantly intense reflections | 0.0673 |
Weighted residual factors for significantly intense reflections | 0.1795 |
Weighted residual factors for all reflections included in the refinement | 0.1965 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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