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Information card for entry 4087841
Preview
Coordinates | 4087841.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 Cl F30 Ir O8 P2 |
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Calculated formula | C41 Cl F30 Ir O8 P2 |
SMILES | [Ir](Cl)([P](Oc1c(F)c(F)c(F)c(F)c1F)(Oc1c(F)c(F)c(F)c(F)c1F)Oc1c(F)c(F)c(F)c(F)c1F)([P](Oc1c(F)c(F)c(F)c(F)c1F)(Oc1c(F)c(F)c(F)c(F)c1F)Oc1c(F)c(F)c(F)c(F)c1F)C#[O].O1CCCC1 |
Title of publication | Catalyst Design of Vaska-Type Iridium Complexes for Highly Efficient Synthesis of π-Conjugated Enamines |
Authors of publication | Tahara, Atsushi; Miyamoto, Yasumitsu; Aoto, Ryuta; Shigeta, Keisuke; Une, Yuta; Sunada, Yusuke; Motoyama, Yukihiro; Nagashima, Hideo |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 20 |
Pages of publication | 4895 |
a | 22.449 ± 0.003 Å |
b | 10.1132 ± 0.001 Å |
c | 20.085 ± 0.002 Å |
α | 90° |
β | 95.576 ± 0.002° |
γ | 90° |
Cell volume | 4538.3 ± 0.9 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 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 | 0.1048 |
Residual factor for significantly intense reflections | 0.0777 |
Weighted residual factors for significantly intense reflections | 0.1361 |
Weighted residual factors for all reflections included in the refinement | 0.1479 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
Diffraction radiation wavelength | 0.71075 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/4087841.html
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Users of the data should acknowledge the original authors of the
structural data.