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Information card for entry 4108762
Preview
Coordinates | 4108762.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H37 Ir N P S |
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Calculated formula | C27 H37 Ir N P S |
SMILES | [Ir]123456(SC7=Cc8ccccc8C7([P]1(C(C)C)C(C)C)C(=N2)C)[c]1([c]3([c]4([c]5([c]61C)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 | 8.0173 ± 0.0005 Å |
b | 19.397 ± 0.0013 Å |
c | 16.3635 ± 0.0011 Å |
α | 90° |
β | 95.6603 ± 0.0009° |
γ | 90° |
Cell volume | 2532.3 ± 0.3 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 | 0.0227 |
Residual factor for significantly intense reflections | 0.0203 |
Weighted residual factors for significantly intense reflections | 0.0501 |
Weighted residual factors for all reflections included in the refinement | 0.0512 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
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/4108762.html
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