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Information card for entry 4512534
Preview
| Coordinates | 4512534.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H52 N16 O13 Zn4 |
|---|---|
| Calculated formula | C76 H52 N16 O13 Zn4 |
| Title of publication | Functionalization of Metal‒Organic Framework via Mixed-Ligand Strategy for Selective CO2Sorption at Ambient Conditions |
| Authors of publication | Chen, Di-Ming; Xu, Na; Qiu, Xiao-Hang; Cheng, Peng |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 2 |
| Pages of publication | 961 |
| a | 14.7979 ± 0.0004 Å |
| b | 18.6413 ± 0.0005 Å |
| c | 22.2879 ± 0.0005 Å |
| α | 86.672 ± 0.002° |
| β | 79.485 ± 0.002° |
| γ | 75.825 ± 0.003° |
| Cell volume | 5860.3 ± 0.3 Å3 |
| Cell temperature | 130 ± 3 K |
| Ambient diffraction temperature | 130 ± 3 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0713 |
| Residual factor for significantly intense reflections | 0.054 |
| Weighted residual factors for significantly intense reflections | 0.1564 |
| Weighted residual factors for all reflections included in the refinement | 0.1661 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179672 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/25. |
4512534.cif |
| 132766 | 2015-03-04 | cif/ Updating files of 4512534 Original log message: Adding full bibliography for 4512534.cif. |
4512534.cif |
| 129720 | 2015-01-17 | cif/ Adding structures of 4512534 via cif-deposit CGI script. |
4512534.cif |
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Users of the data should acknowledge the original authors of the
structural data.