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Information card for entry 7038040
Preview
Coordinates | 7038040.cif |
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Original paper (by DOI) | HTML |
Formula | C56 H48 Co N6 P |
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Calculated formula | C56 H48 Co N6 P |
SMILES | [Co]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([N]#N)=C3N(c4c(C)cc(cc4C)C)c4c(N3c3c1c(N1c5c(N(C=21)c1c(C)cc(cc1C)C)cccc5)ccc3)cccc4 |
Title of publication | Monoanionic bis(carbene) pincer complexes featuring cobalt(I-III) oxidation states. |
Authors of publication | Ibrahim, Abdulrahman D.; Tokmic, Kenan; Brennan, Marshall R.; Kim, Dongyoung; Matson, Ellen M.; Nilges, Mark J.; Bertke, Jeffery A.; Fout, Alison R. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 24 |
Pages of publication | 9805 - 9811 |
a | 12.3483 ± 0.0006 Å |
b | 13.3152 ± 0.0007 Å |
c | 16.1489 ± 0.0009 Å |
α | 107.661 ± 0.003° |
β | 90.213 ± 0.002° |
γ | 115.791 ± 0.002° |
Cell volume | 2249.4 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.052 |
Residual factor for significantly intense reflections | 0.0371 |
Weighted residual factors for significantly intense reflections | 0.0862 |
Weighted residual factors for all reflections included in the refinement | 0.0931 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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