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Information card for entry 4121485
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Coordinates | 4121485.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | hb123 |
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Formula | C38 H38 F6 Ir N4 O2 P |
Calculated formula | C38 H38 F6 Ir N4 O2 P |
SMILES | c12c3c(cccc3)[Ir]3(c4c(c5[n]3c3c(ccc(c3)C(C)(C)C)o5)cccc4)([n]1c1c(ccc(c1)C(C)(C)C)o2)([N]#CC)[N]#CC.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Asymmetric Catalysis with Substitutionally Labile yet Stereochemically Stable Chiral-at-Metal Iridium(III) Complex. |
Authors of publication | Huo, Haohua; Fu, Chen; Harms, Klaus; Meggers, Eric |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 8 |
Pages of publication | 2990 - 2993 |
a | 13.3232 ± 0.0007 Å |
b | 24.2827 ± 0.0011 Å |
c | 15.9879 ± 0.0008 Å |
α | 90° |
β | 109.445 ± 0.0016° |
γ | 90° |
Cell volume | 4877.4 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0328 |
Residual factor for significantly intense reflections | 0.0305 |
Weighted residual factors for significantly intense reflections | 0.072 |
Weighted residual factors for all reflections included in the refinement | 0.0728 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
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/4121485.html
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