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Information card for entry 4108763
Preview
Coordinates | 4108763.cif |
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Original paper (by DOI) | HTML |
Formula | C25 H35 Cl Ir P S |
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Calculated formula | C25 H35 Cl Ir P S |
SMILES | [Ir]12345(Cl)(SC6Cc7c(C=6[P]1(C(C)C)C(C)C)cccc7)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C |
Title of publication | New Cationic and Zwitterionic Cp*M(κ2-P,S) Complexes (M = Rh, Ir): Divergent Reactivity Pathways Arising from Alternative Modes of Ancillary Ligand Participation in Substrate Activation |
Authors of publication | Kevin D. Hesp; Robert McDonald; Michael J. Ferguson; Mark Stradiotto |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 16394 - 16406 |
a | 8.4287 ± 0.0009 Å |
b | 18.747 ± 0.002 Å |
c | 15.3597 ± 0.0017 Å |
α | 90° |
β | 91.1555 ± 0.0015° |
γ | 90° |
Cell volume | 2426.5 ± 0.5 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 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 | 0.0258 |
Residual factor for significantly intense reflections | 0.0245 |
Weighted residual factors for significantly intense reflections | 0.0612 |
Weighted residual factors for all reflections included in the refinement | 0.0617 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.169 |
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/4108763.html
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