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Information card for entry 4082963
Preview
| Coordinates | 4082963.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H89 Co N4 O0.5 P3 Zr |
|---|---|
| Calculated formula | C60 H89 Co N4 O0.5 P3 Zr |
| Title of publication | Interaction and Activation of Carbon‒Heteroatom π Bonds with a Zr/Co Heterobimetallic Complex |
| Authors of publication | Marquard, Seth L.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M. |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 8 |
| Pages of publication | 2071 |
| a | 13.6838 ± 0.0008 Å |
| b | 15.328 ± 0.0009 Å |
| c | 29.7077 ± 0.0019 Å |
| α | 80.707 ± 0.004° |
| β | 84.03 ± 0.004° |
| γ | 70.574 ± 0.003° |
| Cell volume | 5790.7 ± 0.6 Å3 |
| Cell temperature | 135 K |
| Ambient diffraction temperature | 135 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0947 |
| Residual factor for significantly intense reflections | 0.0514 |
| Weighted residual factors for all reflections | 0.0991 |
| Weighted residual factors for significantly intense reflections | 0.0879 |
| Weighted residual factors for all reflections included in the refinement | 0.0991 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4082963.cif |
| 112790 | 2014-05-04 | cif/ Updating files of 4082958, 4082959, 4082960, 4082961, 4082962, 4082963 Original log message: Adding full bibliography for 4082958--4082963.cif. |
4082963.cif |
| 109223 | 2014-04-10 | cif/ Adding structures of 4082958, 4082959, 4082960, 4082961, 4082962, 4082963 via cif-deposit CGI script. |
4082963.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.