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Information card for entry 7236495
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| Coordinates | 7236495.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | H2BDC-NH2/NO2 |
|---|---|
| Formula | C8 H6 N2 O6 |
| Calculated formula | C8 H6 N2 O6 |
| Title of publication | Investigation of the effect of polar functional groups on the crystal structures of indium MOFs |
| Authors of publication | Krüger, Martin; Albat, Martin; Inge, A. Ken; Stock, Norbert |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 31 |
| Pages of publication | 4622 |
| a | 6.7 ± 0.0013 Å |
| b | 9.21 ± 0.0018 Å |
| c | 15.04 ± 0.003 Å |
| α | 78.47 ± 0.03° |
| β | 78.31 ± 0.03° |
| γ | 89.31 ± 0.03° |
| Cell volume | 890.1 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0842 |
| Residual factor for significantly intense reflections | 0.0586 |
| Weighted residual factors for significantly intense reflections | 0.1591 |
| Weighted residual factors for all reflections included in the refinement | 0.1801 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235616 (current) | 2019-11-23 | cif/ Adding structures of 7236494, 7236495, 7236496 via cif-deposit CGI script. |
7236495.cif |
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Users of the data should acknowledge the original authors of the
structural data.