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Information card for entry 4103807
Preview
| Coordinates | 4103807.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | guanidinium 5-azidotetrazolate |
|---|---|
| Chemical name | guanidinium 5-azidotetrazolate |
| Formula | C2 H7 N10 O0.5 |
| Calculated formula | C2 H7 N10 O0.5 |
| SMILES | [n-]1c(N=N#N)nnn1.NC(=[NH2+])N.O |
| Title of publication | The CN~7~^-^ anion |
| Authors of publication | Klapötke, Thomas M.; Stierstorfer, Jörg |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Journal issue | 3 |
| Pages of publication | 1122 - 1134 |
| a | 9.5374 ± 0.0008 Å |
| b | 15.312 ± 0.0009 Å |
| c | 10.5731 ± 0.0006 Å |
| α | 90° |
| β | 94.361 ± 0.007° |
| γ | 90° |
| Cell volume | 1539.59 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1619 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.0945 |
| Weighted residual factors for all reflections included in the refinement | 0.1288 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.882 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210875 (current) | 2018-09-12 | cif/4/ Updating bibliography in entries 4103803-4103811, 4121907. Marking entry 4121907 as a duplicate of entry 4103807. |
4103807.cif |
| 178784 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/38. |
4103807.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4103807.cif |
| 88088 | 2013-09-02 | smi/4 Adding SMILES with fixed common simple chemical species in subdir 4 |
4103807.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4103807.cif |
| 28282 | 2011-10-24 | ../uploads/cif-deposit/cod/cif Adding structures of 4103807 via cif-deposit CGI script. |
4103807.cif |
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