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Information card for entry 4519035
Preview
| Coordinates | 4519035.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H39 Fe3 N6 O16 |
|---|---|
| Calculated formula | C60 H39 Fe3 N6 O16 |
| Title of publication | Tuning Open Metal Site-Free <b>ncb</b> Type of Metal-Organic Frameworks for Simultaneously High Gravimetric and Volumetric Methane Storage Working Capacities. |
| Authors of publication | Zhang, Zong-Hui; Fang, Han; Xue, Dong-Xu; Bai, Junfeng |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2021 |
| Journal volume | 13 |
| Journal issue | 37 |
| Pages of publication | 44956 - 44963 |
| a | 32.5991 ± 0.0009 Å |
| b | 32.5991 ± 0.0009 Å |
| c | 32.5991 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 34643.1 ± 1.7 Å3 |
| Cell temperature | 243 K |
| Ambient diffraction temperature | 243 K |
| Number of distinct elements | 5 |
| Space group number | 217 |
| Hermann-Mauguin space group symbol | I -4 3 m |
| Hall space group symbol | I -4 2 3 |
| Residual factor for all reflections | 0.0803 |
| Residual factor for significantly intense reflections | 0.0745 |
| Weighted residual factors for significantly intense reflections | 0.2002 |
| Weighted residual factors for all reflections included in the refinement | 0.2052 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269462 (current) | 2021-10-03 | cif/ Adding structures of 4519035 via cif-deposit CGI script. |
4519035.cif |
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Users of the data should acknowledge the original authors of the
structural data.