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Information card for entry 4068890
Preview
Coordinates | 4068890.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H31 Br2 N5 |
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Calculated formula | C27 H31 Br2 N5 |
SMILES | n1(c[n+](c2ccccc12)c1nc(ccc1)[n+]1cn(CCCC)c2c1cccc2)CCCC.[Br-].[Br-] |
Title of publication | Silver and Palladium Complexes of a Bis(benzimidazolin-2-ylidene)pyridine Pincer Ligand |
Authors of publication | Brown, David H.; Nealon, Gareth L.; Simpson, Peter V.; Skelton, Brian W.; Wang, Zhisen |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 6 |
Pages of publication | 1965 |
a | 8.2731 ± 0.0004 Å |
b | 12.8114 ± 0.0006 Å |
c | 12.9825 ± 0.0007 Å |
α | 70.608 ± 0.004° |
β | 77.519 ± 0.004° |
γ | 88.161 ± 0.004° |
Cell volume | 1266.1 ± 0.12 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.084 |
Residual factor for significantly intense reflections | 0.0357 |
Weighted residual factors for significantly intense reflections | 0.0815 |
Weighted residual factors for all reflections included in the refinement | 0.1087 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.834 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4068890.html
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