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Information card for entry 1546921
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| Coordinates | 1546921.cif |
|---|---|
| Structure factors | 1546921.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ammonium hydrogen bis[(3-chloro-2-methylphenoxy)acetate] |
|---|---|
| Formula | C18 H21 Cl2 N O6 |
| Calculated formula | C18 H21 Cl2 N O6 |
| Title of publication | Ammonium hydrogen bis[(3-chloro-2-methylphenoxy)acetate] |
| Authors of publication | Smith, Graham |
| Journal of publication | IUCrData |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 8 |
| Pages of publication | x171223 |
| a | 4.7434 ± 0.0005 Å |
| b | 6.8568 ± 0.0008 Å |
| c | 15.0374 ± 0.0015 Å |
| α | 100.88 ± 0.009° |
| β | 92.184 ± 0.008° |
| γ | 103.053 ± 0.009° |
| Cell volume | 466.21 ± 0.09 Å3 |
| Cell temperature | 200 ± 1 K |
| Ambient diffraction temperature | 200 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0708 |
| Residual factor for significantly intense reflections | 0.0516 |
| Weighted residual factors for significantly intense reflections | 0.104 |
| Weighted residual factors for all reflections included in the refinement | 0.1132 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200065 (current) | 2017-09-01 | cif/ hkl/ Adding structures of 1546921 via cif-deposit CGI script. |
1546921.cif 1546921.hkl |
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Users of the data should acknowledge the original authors of the
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