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Information card for entry 2240126
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| Coordinates | 2240126.cif |
|---|---|
| Structure factors | 2240126.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,2-Diphenylhydrazinium chloride |
|---|---|
| Formula | C12 H13 Cl N2 |
| Calculated formula | C12 H13 Cl N2 |
| SMILES | N([NH3+])(c1ccccc1)c1ccccc1.[Cl-] |
| Title of publication | Crystal structure of 2,2-diphenylhydrazinium chloride |
| Authors of publication | Paul, Amit Kumal; Mukherjee, Soma; Stoeckli-Evans, Helen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | 382 - 384 |
| a | 21.341 ± 0.003 Å |
| b | 5.3728 ± 0.0004 Å |
| c | 19.94 ± 0.003 Å |
| α | 90° |
| β | 98.291 ± 0.01° |
| γ | 90° |
| Cell volume | 2262.4 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0738 |
| Residual factor for significantly intense reflections | 0.0565 |
| Weighted residual factors for significantly intense reflections | 0.1365 |
| Weighted residual factors for all reflections included in the refinement | 0.1413 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.93 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181901 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/01 |
2240126.cif 2240126.hkl |
| 181321 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/01. |
2240126.cif 2240126.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240126.cif 2240126.hkl |
| 125906 | 2014-10-26 | cif/ hkl/ Adding structures of 2240126 via cif-deposit CGI script. |
2240126.cif 2240126.hkl |
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Users of the data should acknowledge the original authors of the
structural data.