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Information card for entry 7214469
Preview
| Coordinates | 7214469.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H13 Cu2 N O12 |
|---|---|
| Calculated formula | C22 H9 Cu2 N O12 |
| Title of publication | A nitro-decorated NbO-type metal‒organic framework with a highly selective CO2 uptake and CH4 storage capacity |
| Authors of publication | Zhang, Mingxing; Wang, Qian; Lu, Zhiyong; Liu, Huiyan; Liu, Wenlong; Bai, Junfeng |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 28 |
| Pages of publication | 6287 |
| a | 18.4898 ± 0.0011 Å |
| b | 18.4898 ± 0.0011 Å |
| c | 38.7266 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 11465.8 ± 1.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 166 |
| Hermann-Mauguin space group symbol | R -3 m :H |
| Hall space group symbol | -R 3 2" |
| Residual factor for all reflections | 0.1328 |
| Residual factor for significantly intense reflections | 0.1208 |
| Weighted residual factors for significantly intense reflections | 0.3356 |
| Weighted residual factors for all reflections included in the refinement | 0.3522 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.449 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180475 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/44. |
7214469.cif |
| 119427 | 2014-07-07 | cif/ Updating files of 7214469 Original log message: Adding full bibliography for 7214469.cif. |
7214469.cif |
| 110102 | 2014-04-18 | cif/ Adding structures of 7214469 via cif-deposit CGI script. |
7214469.cif |
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Users of the data should acknowledge the original authors of the
structural data.