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Information card for entry 4065225
Preview
Coordinates | 4065225.cif |
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Original paper (by DOI) | HTML |
Common name | ms_lhbmz_0m |
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Formula | C21 H21 Br N4 S |
Calculated formula | C21 H21 Br N4 S |
SMILES | [Br-].S=C1N(Cc2ccccc2)C=CN1Cn1c[n+](Cc2ccccc2)cc1 |
Title of publication | New Mixed-Donor Bidentate Ligands Based on N-Heterocyclic Carbene and Thione Donors |
Authors of publication | Slivarichova, Miriam; Ahmad, Ruaa; Kuo, Yu-Ying; Nunn, Joshua; Haddow, Mairi F.; Othman, Hafiizah; Owen, Gareth R. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 17 |
Pages of publication | 4779 |
a | 6.8981 ± 0.0002 Å |
b | 9.0283 ± 0.0003 Å |
c | 16.5419 ± 0.0006 Å |
α | 85.584 ± 0.002° |
β | 87.533 ± 0.001° |
γ | 73.545 ± 0.001° |
Cell volume | 984.83 ± 0.06 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 | 0.0262 |
Residual factor for significantly intense reflections | 0.0222 |
Weighted residual factors for significantly intense reflections | 0.0596 |
Weighted residual factors for all reflections included in the refinement | 0.0708 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.175 |
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/4065225.html
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Users of the data should acknowledge the original authors of the
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