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Information card for entry 4065453
Preview
Coordinates | 4065453.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H32 Co N2 O3 P3 |
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Calculated formula | C40 H32 Co N2 O3 P3 |
SMILES | [Co]12([P](c3ccccc3)(c3ccccc3)c3ccccc3N3P1(=O)N(CC3)c1ccccc1[P]2(c1ccccc1)c1ccccc1)(C#[O])C#[O] |
Title of publication | Coordination of an N-Heterocyclic Phosphenium Containing Pincer Ligand to a Co(CO)2Fragment Allows Oxidation To Form an Unusual N-Heterocyclic Phosphinito Species |
Authors of publication | Pan, Baofei; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 21 |
Pages of publication | 5560 |
a | 11.3884 ± 0.0003 Å |
b | 12.4056 ± 0.0003 Å |
c | 12.8398 ± 0.0004 Å |
α | 80.511 ± 0.001° |
β | 87.769 ± 0.001° |
γ | 69.539 ± 0.001° |
Cell volume | 1675.96 ± 0.08 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.051 |
Residual factor for significantly intense reflections | 0.0335 |
Weighted residual factors for all reflections | 0.0757 |
Weighted residual factors for significantly intense reflections | 0.07 |
Weighted residual factors for all reflections included in the refinement | 0.0757 |
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 | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4065453.html
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