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Information card for entry 4340693
Preview
| Coordinates | 4340693.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | jb3_15 |
|---|---|
| Chemical name | jb3_15 |
| Formula | C62 H80 Co N8 O3 |
| Calculated formula | C62 H80 Co N8 O3 |
| SMILES | C1CN(C(=O)CN(Cc2ccccc2)Cc2ccccc2)[Co]23[N]1(CCN2C(=O)CN(Cc1ccccc1)Cc1ccccc1)CCN3C(=O)CN(Cc1ccccc1)Cc1ccccc1.C(C)[N+](CC)(CC)CC |
| Title of publication | Synthesis and reactivity of tripodal complexes containing pendant bases. |
| Authors of publication | Blacquiere, Johanna M.; Pegis, Michael L.; Raugei, Simone; Kaminsky, Werner; Forget, Amélie; Cook, Sarah A.; Taguchi, Taketo; Mayer, James M. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 17 |
| Pages of publication | 9242 - 9253 |
| a | 18.9214 ± 0.0011 Å |
| b | 14.7819 ± 0.001 Å |
| c | 20.8249 ± 0.0012 Å |
| α | 90° |
| β | 106.269 ± 0.003° |
| γ | 90° |
| Cell volume | 5591.4 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0529 |
| Residual factor for significantly intense reflections | 0.0355 |
| Weighted residual factors for significantly intense reflections | 0.0835 |
| Weighted residual factors for all reflections included in the refinement | 0.0958 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179509 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/06. |
4340693.cif |
| 122943 | 2014-09-06 | cif/ Updating files of 4340692, 4340693, 4340694, 4340695 Original log message: Adding full bibliography for 4340692--4340695.cif. |
4340693.cif |
| 122008 | 2014-08-18 | cif/ Adding structures of 4340692, 4340693, 4340694, 4340695 via cif-deposit CGI script. |
4340693.cif |
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