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Information card for entry 4083853
Preview
Coordinates | 4083853.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | mf26 |
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Formula | C34 H40 B Co F8 N3 P2 |
Calculated formula | C34 H40 B Co F8 N3 P2 |
SMILES | [B](F)(F)(F)[F-].[cH]12[cH]3[cH]4[cH]5[c]1(c1c(c(F)nc(c1F)F)F)[Co]12345[P]2(C(C)(C)C)CN(C[P]1(C(C)(C)C)CN(C2)c1ccccc1)c1ccccc1 |
Title of publication | Cobalt Complexes Containing Pendant Amines in the Second Coordination Sphere as Electrocatalysts for H2Production |
Authors of publication | Fang, Ming; Wiedner, Eric S.; Dougherty, William G.; Kassel, W. Scott; Liu, Tianbiao; DuBois, Daniel L.; Bullock, R. Morris |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 20 |
Pages of publication | 5820 |
a | 8.2542 ± 0.0004 Å |
b | 38.544 ± 0.002 Å |
c | 10.5136 ± 0.0005 Å |
α | 90° |
β | 99.341 ± 0.003° |
γ | 90° |
Cell volume | 3300.5 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0702 |
Residual factor for significantly intense reflections | 0.0413 |
Weighted residual factors for significantly intense reflections | 0.0844 |
Weighted residual factors for all reflections included in the refinement | 0.0932 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation probe | x-ray |
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/4083853.html
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Users of the data should acknowledge the original authors of the
structural data.