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Information card for entry 4063709
Preview
Coordinates | 4063709.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (CF3PCP)Ir(H)(Cl)2-NEt3H+ |
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Formula | C18 H24 Cl2 F12 Ir N P2 |
Calculated formula | C18 H24 Cl2 F12 Ir N P2 |
SMILES | [IrH]12(c3c(cccc3C[P]1(C(F)(F)F)C(F)(F)F)C[P]2(C(F)(F)F)C(F)(F)F)(Cl)Cl.[NH+](CC)(CC)CC |
Title of publication | Acceptor PCP Pincer Iridium(I) Chemistry: Stabilization of Nonmeridional PCP Coordination Geometries |
Authors of publication | Adams, Jeramie J.; Arulsamy, Navamoney; Roddick, Dean M. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 4 |
Pages of publication | 697 |
a | 14.8697 ± 0.0003 Å |
b | 19.7321 ± 0.0004 Å |
c | 18.6739 ± 0.0003 Å |
α | 90° |
β | 103.331 ± 0.001° |
γ | 90° |
Cell volume | 5331.48 ± 0.18 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.065 |
Residual factor for significantly intense reflections | 0.0413 |
Weighted residual factors for significantly intense reflections | 0.0938 |
Weighted residual factors for all reflections included in the refinement | 0.1067 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
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/4063709.html
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