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Information card for entry 4505945
Preview
Coordinates | 4505945.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C70 H80 Cd5 N24 O17 |
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Calculated formula | C70 H74 Cd5 N24 O17 |
Title of publication | Two Cadmium-Cluster-Based Metal‒Organic Frameworks with Mixed Ligands of 1,2,3-Benzenetriazole (HBTA) and 1,4-Benzenedicarboxylic acid (H2BDC) |
Authors of publication | Zhong, Di-Chang; Deng, Ji-Hua; Luo, Xu-Zhong; Liu, Hui-Jin; Zhong, Jin-Lian; Wang, Ke-Jun; Lu, Tong-Bu |
Journal of publication | Crystal Growth & Design |
Year of publication | 2012 |
Journal volume | 12 |
Journal issue | 4 |
Pages of publication | 1992 |
a | 24.1035 ± 0.0006 Å |
b | 24.512 ± 0.0007 Å |
c | 16.857 ± 0.0005 Å |
α | 90° |
β | 124.65 ± 0.001° |
γ | 90° |
Cell volume | 8193.1 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0383 |
Residual factor for significantly intense reflections | 0.0345 |
Weighted residual factors for significantly intense reflections | 0.0854 |
Weighted residual factors for all reflections included in the refinement | 0.0941 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
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/4505945.html
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Users of the data should acknowledge the original authors of the
structural data.