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Information card for entry 4065228
Preview
Coordinates | 4065228.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | ms74_0m |
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Formula | C42 H40 Cu2 I2 N8 S2 |
Calculated formula | C42 H40 Cu2 I2 N8 S2 |
SMILES | C12N(Cc3ccccc3)C=CN1CN1C(N(Cc3ccccc3)C=C1)=[Cu]1(I)[S]=2[Cu]2(=C3N(CN4C(N(Cc5ccccc5)C=C4)=[S]12)C=CN3Cc1ccccc1)I |
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 | 9.6138 ± 0.0004 Å |
b | 10.0759 ± 0.0005 Å |
c | 11.2954 ± 0.0006 Å |
α | 106.642 ± 0.002° |
β | 94.523 ± 0.002° |
γ | 101.486 ± 0.002° |
Cell volume | 1016.52 ± 0.09 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0255 |
Residual factor for significantly intense reflections | 0.0216 |
Weighted residual factors for significantly intense reflections | 0.051 |
Weighted residual factors for all reflections included in the refinement | 0.0528 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
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/4065228.html
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