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Information card for entry 2312043
Preview
| Coordinates | 2312043.cif |
|---|---|
| Structure factors | 2312043.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,1'-[1,2-Bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene) |
|---|---|
| Formula | C26 H20 Cl2 N4 |
| Calculated formula | C26 H20 Cl2 N4 |
| Title of publication | (E,E)-1,1'-[1,2-Bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene) revisited: threefold configurational disorder of (S,S), (R,R) and (S,R) isomers, a detailed critique. |
| Authors of publication | Parkin, Sean; Glidewell, Christopher; Horton, Peter N. |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 3 |
| Pages of publication | 77 - 82 |
| a | 6.1037 ± 0.0004 Å |
| b | 9.3345 ± 0.0007 Å |
| c | 10.4146 ± 0.0007 Å |
| α | 83.039 ± 0.001° |
| β | 77.139 ± 0.009° |
| γ | 85.055 ± 0.001° |
| Cell volume | 573.15 ± 0.07 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 | 0.0671 |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for significantly intense reflections | 0.1431 |
| Weighted residual factors for all reflections included in the refinement | 0.1516 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282415 (current) | 2023-04-05 | cif/ hkl/ Adding structures of 2312043, 2312044, 2312045 via cif-deposit CGI script. |
2312043.cif 2312043.hkl |
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Users of the data should acknowledge the original authors of the
structural data.