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Information card for entry 4116584
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Coordinates | 4116584.cif |
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Original paper (by DOI) | HTML |
Chemical name | dihydride-triisopropylphosphine-1,3,5-trimethylbenzene-iridium(III) tetrafluoro borate |
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Formula | C18 H35 B F4 Ir P |
Calculated formula | C18 H35 B F4 Ir P |
SMILES | [IrH2]12345([P](C(C)C)(C(C)C)C(C)C)[c]6([cH]5[c]4([cH]3[c]2([cH]16)C)C)C.[B](F)(F)(F)[F-] |
Title of publication | C-H Bond Activations by New Labile η6-Arene Complexes of Iridium |
Authors of publication | Francisco Torres; Eduardo Sola; Marta Martín; José A. López; Fernando J. Lahoz; Luis A. Oro |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 1999 |
Journal volume | 121 |
Pages of publication | 10632 - 10633 |
a | 8.1477 ± 0.0007 Å |
b | 13.8943 ± 0.0012 Å |
c | 10.1659 ± 0.0009 Å |
α | 90° |
β | 109.454 ± 0.01° |
γ | 90° |
Cell volume | 1085.14 ± 0.18 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0367 |
Residual factor for significantly intense reflections | 0.0345 |
Weighted residual factors for significantly intense reflections | 0.0816 |
Weighted residual factors for all reflections included in the refinement | 0.0833 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
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/4116584.html
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