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Information card for entry 4065452
Preview
Coordinates | 4065452.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H40 Co N2 O3 P3 |
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Calculated formula | C44 H40 Co N2 O3 P3 |
SMILES | [Co]12([P](c3ccccc3)(c3ccccc3)c3ccccc3N3P1N(CC3)c1ccccc1[P]2(c1ccccc1)c1ccccc1)(C#[O])C#[O].O1CCCC1 |
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 | 18.067 ± 0.0012 Å |
b | 20.6693 ± 0.0014 Å |
c | 21.1505 ± 0.0013 Å |
α | 90° |
β | 103.072 ± 0.003° |
γ | 90° |
Cell volume | 7693.6 ± 0.9 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.057 |
Residual factor for significantly intense reflections | 0.0444 |
Weighted residual factors for all reflections | 0.1333 |
Weighted residual factors for significantly intense reflections | 0.1087 |
Weighted residual factors for all reflections included in the refinement | 0.1333 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0096 |
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/4065452.html
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