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Information card for entry 4084214
Preview
Coordinates | 4084214.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H12 N2 |
---|---|
Calculated formula | C18 H12 N2 |
SMILES | C(#Cc1cnc(cc1)c1ncccc1)c1ccccc1 |
Title of publication | Coordinating Tectons: Bimetallic Complexes from Bipyridyl Terminated Group 8 Alkynyl Complexes |
Authors of publication | Koutsantonis, George A.; Low, Paul J.; Mackenzie, Campbell F. R.; Skelton, Brian W.; Yufit, Dmitry S. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 18 |
Pages of publication | 4911 |
a | 5.9003 ± 0.0002 Å |
b | 38.311 ± 0.0011 Å |
c | 17.98 ± 0.0005 Å |
α | 90° |
β | 99.289 ± 0.003° |
γ | 90° |
Cell volume | 4011 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0555 |
Residual factor for significantly intense reflections | 0.0507 |
Weighted residual factors for significantly intense reflections | 0.1256 |
Weighted residual factors for all reflections included in the refinement | 0.1292 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4084214.html
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Users of the data should acknowledge the original authors of the
structural data.