Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4123498
Preview
| Coordinates | 4123498.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C216 H120 N12 O32 Zr6 |
|---|---|
| Calculated formula | C216 H120 N12 O32 Zr6 |
| Title of publication | Ultrahigh Surface Area Zirconium MOFs and Insights into the Applicability of the BET Theory. |
| Authors of publication | Wang, Timothy C.; Bury, Wojciech; Gómez-Gualdrón, Diego A; Vermeulen, Nicolaas A.; Mondloch, Joseph E.; Deria, Pravas; Zhang, Kainan; Moghadam, Peyman Z.; Sarjeant, Amy A.; Snurr, Randall Q.; Stoddart, J. Fraser; Hupp, Joseph T.; Farha, Omar K. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 10 |
| Pages of publication | 3585 - 3591 |
| a | 25.334 ± 0.0012 Å |
| b | 25.334 ± 0.0012 Å |
| c | 25.334 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 16259.7 ± 1.3 Å3 |
| Cell temperature | 250 ± 2 K |
| Ambient diffraction temperature | 250 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 221 |
| Hermann-Mauguin space group symbol | P m -3 m |
| Hall space group symbol | -P 4 2 3 |
| Residual factor for all reflections | 0.0395 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.1115 |
| Weighted residual factors for all reflections included in the refinement | 0.1124 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179036 (current) | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/34. |
4123498.cif |
| 134798 | 2015-04-04 | cif/ Updating files of 4123497, 4123498, 4123499, 4123500 Original log message: Adding full bibliography for 4123497--4123500.cif. |
4123498.cif |
| 133721 | 2015-03-10 | cif/ Adding structures of 4123498 via cif-deposit CGI script. |
4123498.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.