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Information card for entry 7000005
Preview
Coordinates | 7000005.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H24 Cl N2 Rh S |
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Calculated formula | C15 H24 Cl N2 Rh S |
SMILES | [Rh]123(Cl)([S]=c4n(c(c(n4C)C)C)C)[CH]4CC[CH]1=[CH]2CC[CH]3=4 |
Title of publication | Thione complexes of Rh(I): a first comparison with the bonding and catalytic activity of related carbene and imine compounds. |
Authors of publication | Neveling, Arno; Julius, Gerrit R.; Cronje, Stephanie; Esterhuysen, Catharine; Raubenheimer, Helgard G. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2005 |
Journal issue | 1 |
Pages of publication | 181 - 192 |
a | 14.389 ± 0.003 Å |
b | 7.702 ± 0.002 Å |
c | 14.993 ± 0.003 Å |
α | 90° |
β | 100.79 ± 0.03° |
γ | 90° |
Cell volume | 1632.2 ± 0.7 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0386 |
Residual factor for significantly intense reflections | 0.0247 |
Weighted residual factors for significantly intense reflections | 0.0485 |
Weighted residual factors for all reflections included in the refinement | 0.0517 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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