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Information card for entry 4082938
Preview
| Coordinates | 4082938.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H20 N4 O2 |
|---|---|
| Calculated formula | C12 H20 N4 O2 |
| SMILES | C(=O)(C12CC3(C(=O)NN)CC(C1)CC(C2)C3)NN |
| Title of publication | Diamondoid Hydrazones and Hydrazides: Sterically Demanding Ligands for Sn/S Cluster Design |
| Authors of publication | Barth, Beatrix E. K.; Tkachenko, Boryslav A.; Eußner, Jens P.; Schreiner, Peter R.; Dehnen, Stefanie |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 7 |
| Pages of publication | 1678 |
| a | 6.3244 ± 0.0007 Å |
| b | 12.4968 ± 0.0009 Å |
| c | 15.4926 ± 0.0017 Å |
| α | 90° |
| β | 91.647 ± 0.009° |
| γ | 90° |
| Cell volume | 1223.9 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.0928 |
| Residual factor for significantly intense reflections | 0.0621 |
| Weighted residual factors for significantly intense reflections | 0.132 |
| Weighted residual factors for all reflections included in the refinement | 0.1413 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.82 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4082938.cif |
| 178718 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/29. |
4082938.cif |
| 109849 | 2014-04-17 | cif/ Updating files of 4082938 Original log message: Adding full bibliography for 4082938.cif. |
4082938.cif |
| 109780 | 2014-04-17 | cif/ (saulius@koala.ibt.lt) Restoring in bulk the COD CIFs that had their bibliographies update recently: svn merge -r109779:109651 . The problem was that: a) the COD deposition pipeline incorrectly folded some text fields; b) it removed last page number from some CIFs that had it before. An attempt to updated bibliographies will be repeated with corrected scripts. |
4082938.cif |
| 109720 | 2014-04-17 | cif/ Updating files of 4082938 Original log message: Adding full bibliography for ./tmp-cod-update-bibliographies-28993/cifs/4082938.cif. |
4082938.cif |
| 108888 | 2014-04-04 | cif/ Adding structures of 4082938, 4082939, 4082940, 4082941, 4082942 via cif-deposit CGI script. |
4082938.cif |
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Users of the data should acknowledge the original authors of the
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