Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1517471
Preview
| Coordinates | 1517471.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H Cu O3 |
|---|---|
| Calculated formula | C4 H Cu O3 |
| Title of publication | Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn) |
| Authors of publication | Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2014 |
| Journal volume | 5 |
| Journal issue | 12 |
| Pages of publication | 4569 |
| a | 25.8733 ± 0.0007 Å |
| b | 25.8733 Å |
| c | 6.25768 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3627.84 ± 0.15 Å3 |
| Cell temperature | 10 K |
| Ambient diffraction temperature | 10 K |
| Number of distinct elements | 4 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| RFsqd | 0.03035 |
| Goodness-of-fit parameter for all reflections | 1.09 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | neutron |
| Diffraction radiation wavelength | 2.0775 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1517471.cif |
| 126328 | 2014-11-06 | cif/ Updating files of 1517465, 1517466, 1517467, 1517468, 1517469, 1517470, 1517471, 1517472, 1517473, 1517474, 1517475, 1517476, 1517477, 1517478, 1517479, 1517480, 1517481, 1517482 Original log message: Adding full bibliography for 1517465--1517482.cif. |
1517471.cif |
| 122582 | 2014-08-29 | cif/ Adding structures of 1517465, 1517466, 1517467, 1517468, 1517469, 1517470, 1517471, 1517472, 1517473, 1517474, 1517475, 1517476, 1517477, 1517478, 1517479, 1517480, 1517481, 1517482 via cif-deposit CGI script. |
1517471.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.