Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1552072
Preview
| Coordinates | 1552072.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35.25 H37.25 In N2.75 O12.25 |
|---|---|
| Calculated formula | C30 H20 In N O8 |
| Title of publication | Cation-induced kinetic trapping and enhanced hydrogen adsorption in a modulated anionic metal-organic framework |
| Authors of publication | Sihai Yang; Xiang Lin; Alexander J. Blake; Gavin S. Walker; Peter Hubberstey; Neil R. Champness; Martin Schroder |
| Journal of publication | Nature Chemistry |
| Year of publication | 2009 |
| Journal volume | 1 |
| Pages of publication | 487 - 493 |
| a | 36.5251 ± 0.0012 Å |
| b | 9.8281 ± 0.0003 Å |
| c | 10.1059 ± 0.0004 Å |
| α | 90° |
| β | 105.682 ± 0.004° |
| γ | 90° |
| Cell volume | 3492.7 ± 0.2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0828 |
| Residual factor for significantly intense reflections | 0.0783 |
| Weighted residual factors for significantly intense reflections | 0.202 |
| Weighted residual factors for all reflections included in the refinement | 0.208 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216890 (current) | 2019-07-09 | cif/ Adding structures of 1552072 via cif-deposit CGI script. |
1552072.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.