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Information card for entry 3500136
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| Coordinates | 3500136.cif |
|---|---|
| Structure factors | 3500136.hkl |
| Common name | 4,4'-Diiodobenzophenone |
|---|---|
| Formula | C13 H8 I2 O |
| Calculated formula | C13 H8 I2 O |
| Title of publication | 4,4'-Diiodobenzophenone |
| Authors of publication | Maris, Thierry; Arseneault, Mathieu; Wuest, James D. |
| Journal of publication | Personal communication to COD |
| Year of publication | 2023 |
| a | 7.4381 ± 0.0008 Å |
| b | 28.138 ± 0.003 Å |
| c | 6.0551 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1267.3 ± 0.2 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 4 |
| Space group number | 37 |
| Hermann-Mauguin space group symbol | C c c 2 |
| Hall space group symbol | C 2 -2c |
| Residual factor for all reflections | 0.0365 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.1013 |
| Weighted residual factors for all reflections included in the refinement | 0.1019 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282024 (current) | 2023-03-23 | cif/ hkl/ Adding structures of 3500136 via cif-deposit CGI script. |
3500136.cif 3500136.hkl |
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Users of the data should acknowledge the original authors of the
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