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Information card for entry 2019157
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| Coordinates | 2019157.cif |
|---|---|
| Structure factors | 2019157.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(azido-κ<i>N</i>)[1,1,',1''-(phenylboranetriyl)tris(3-<i>tert</i>-butyl-1<i>H</i>-imidazol-2-ylidene)]cobalt(III) |
|---|---|
| Formula | C27 H38 B Co N12 |
| Calculated formula | C27 H38 B Co N12 |
| SMILES | [Co]12(N=N#N)(N=N#N)=C3N([B](N4C=1N(C=C4)C(C)(C)C)(N1C=2N(C=C1)C(C)(C)C)c1ccccc1)C=CN3C(C)(C)C |
| Title of publication | Cobalt azide complexes with a tris(carbene)borate ligand scaffold |
| Authors of publication | Scepaniak, Jeremiah J.; Margarit, Charles G.; Bontchev, Ranko P.; Smith, Jeremy M. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 9 |
| Pages of publication | 968 - 971 |
| a | 10.1553 ± 0.0014 Å |
| b | 12.3593 ± 0.0018 Å |
| c | 12.8113 ± 0.0017 Å |
| α | 82.35 ± 0.009° |
| β | 69.88 ± 0.01° |
| γ | 85.26 ± 0.01° |
| Cell volume | 1495.2 ± 0.4 Å3 |
| Cell temperature | 228 ± 2 K |
| Ambient diffraction temperature | 228 ± 2 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 | 0.1562 |
| Residual factor for significantly intense reflections | 0.0599 |
| Weighted residual factors for significantly intense reflections | 0.1071 |
| Weighted residual factors for all reflections included in the refinement | 0.1425 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.919 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180860 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/91. |
2019157.cif 2019157.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019157.cif 2019157.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2019157.cif 2019157.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2019157.cif 2019157.hkl |
| 88741 | 2013-10-02 | cif/ Adding structures of 2019156, 2019157 via cif-deposit CGI script. |
2019157.cif |
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Users of the data should acknowledge the original authors of the
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