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Information card for entry 1545765
Preview
| Coordinates | 1545765.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Co2(dobdc) |
|---|---|
| Formula | C8 H2 Co2 O6 |
| Calculated formula | C8 H2 Co2 O6 |
| Title of publication | Structural characterization of framework‒gas interactions in the metal‒organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction |
| Authors of publication | Gonzalez, Miguel; Mason, Jarad; Bloch, Eric D.; Teat, Simon; Gagnon, Kevin J.; Morrison, Gregory Y.; Queen, Wendy Lee; Long, Jeffrey R. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2017 |
| a | 25.892 ± 0.004 Å |
| b | 25.892 ± 0.004 Å |
| c | 6.8482 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3975.9 ± 1 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 4 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0564 |
| Residual factor for significantly intense reflections | 0.0485 |
| Weighted residual factors for significantly intense reflections | 0.137 |
| Weighted residual factors for all reflections included in the refinement | 0.1453 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
| Diffraction radiation wavelength | 0.7749 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 195605 (current) | 2017-04-20 | cif/ Adding structures of 1545763, 1545764, 1545765, 1545766, 1545767, 1545768, 1545769, 1545770 via cif-deposit CGI script. |
1545765.cif |
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Users of the data should acknowledge the original authors of the
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