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Information card for entry 7220757
Preview
| Coordinates | 7220757.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H15 O2.5 Zn0.5 |
|---|---|
| Calculated formula | C26 H15 O2.5 Zn0.5 |
| Title of publication | Metal organic frameworks from extended, conjugated pentiptycene-based ligands |
| Authors of publication | Crane, Angela K.; White, Nicholas G.; MacLachlan, Mark J. |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 26 |
| Pages of publication | 4912 |
| a | 17.128 ± 0.008 Å |
| b | 35.003 ± 0.016 Å |
| c | 11.62 ± 0.005 Å |
| α | 90° |
| β | 119.498 ± 0.006° |
| γ | 90° |
| Cell volume | 6064 ± 5 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 K |
| Number of distinct elements | 4 |
| 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 | 0.1135 |
| Residual factor for significantly intense reflections | 0.0904 |
| Weighted residual factors for all reflections | 0.2537 |
| Weighted residual factors for significantly intense reflections | 0.2208 |
| Weighted residual factors for all reflections included in the refinement | 0.2537 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9876 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
7220757.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7220757.cif |
| 143385 | 2015-07-10 | cif/ Updating files of 7220756, 7220757, 7220758 Original log message: Adding full bibliography for 7220756--7220758.cif. |
7220757.cif |
| 139119 | 2015-06-12 | cif/ Adding structures of 7220756, 7220757, 7220758 via cif-deposit CGI script. |
7220757.cif |
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Users of the data should acknowledge the original authors of the
structural data.