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Information card for entry 7701226
Preview
| Coordinates | 7701226.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (3,3??,5,5??-Tetramethoxycarbonyl-1,1?:3?,1??-terphen-2?-yl)diphenylphosphane oxide |
|---|---|
| Formula | C38 H31 O9 P |
| Calculated formula | C38 H31 O9 P |
| Title of publication | A new set of metal-organic frameworks synthesised from diisophthalate-based, 2'-phosphorus-substituted m-terphenyl linker molecules. |
| Authors of publication | Stein, Timo; Hoffmann, Frank; Fröba, Michael |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 40 |
| Pages of publication | 15127 - 15135 |
| a | 8.2514 ± 0.0004 Å |
| b | 11.6965 ± 0.0005 Å |
| c | 17.6863 ± 0.0006 Å |
| α | 101.701 ± 0.003° |
| β | 97.017 ± 0.003° |
| γ | 102.97 ± 0.004° |
| Cell volume | 1603.49 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.051 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.1206 |
| Weighted residual factors for all reflections included in the refinement | 0.1275 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7701226.cif |
| 224262 | 2019-11-08 | cif/ Updating files of 7701221, 7701222, 7701223, 7701224, 7701225, 7701226, 7701227, 7701228, 7701229, 7701230, 7701231, 7701232 Original log message: Adding full bibliography for 7701221--7701232.cif. |
7701226.cif |
| 218840 | 2019-09-25 | cif/ Adding structures of 7701221, 7701222, 7701223, 7701224, 7701225, 7701226, 7701227, 7701228, 7701229, 7701230, 7701231, 7701232 via cif-deposit CGI script. |
7701226.cif |
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Users of the data should acknowledge the original authors of the
structural data.