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Information card for entry 8101979
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| Coordinates | 8101979.cif |
|---|
| Chemical name | carbohydrazide p-toluenesulfonate |
|---|---|
| Formula | C16 H28 N8 O8 S2 |
| Calculated formula | C16 H28 N8 O8 S2 |
| Title of publication | Crystal structure of carbohydrazidium(1+) p-toluene-sulfonate, (NH~2~NHCONHNH~3~)[CH~3~C~6~H~4~SO~3~] |
| Authors of publication | Yang, L.; Yu, W.; Wu, T.; Zhang, T.-L.; Zhang, J.-G.; Guo, J.-Y.; Wu, R.-F.; Ren, F.-J. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2006 |
| Journal volume | 221 |
| Journal issue | 3 |
| Pages of publication | 281 - 282 |
| a | 10.646 ± 0.001 Å |
| b | 8.185 ± 0.001 Å |
| c | 26.402 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2300.6 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0597 |
| Residual factor for significantly intense reflections | 0.0378 |
| Weighted residual factors for significantly intense reflections | 0.0872 |
| Weighted residual factors for all reflections included in the refinement | 0.0929 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8101979.cif |
| 107950 | 2014-03-25 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101979.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101979.cif |
| 12718 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101979 via cif-deposit CGI script. |
8101979.cif |
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