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Information card for entry 4124735
Preview
Coordinates | 4124735.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H33 Cl4 F6 O2 P Ru |
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Calculated formula | C37 H33 Cl4 F6 O2 P Ru |
SMILES | [Ru]123456789([c]%10%11[cH]1[cH]2[cH]3[c]4%10Cc1c(OC)cc2ccccc2c1c1c(C%11)c(OC)cc2c1cccc2)[cH]1[cH]9[cH]8[cH]7[cH]6[cH]51.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl |
Title of publication | Chiral Cationic Cp(x)Ru(II) Complexes for Enantioselective Yne-Enone Cyclizations. |
Authors of publication | Kossler, David; Cramer, Nicolai |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2015 |
Journal volume | 137 |
Journal issue | 39 |
Pages of publication | 12478 - 12481 |
a | 8.7297 ± 0.0003 Å |
b | 17.7981 ± 0.0005 Å |
c | 11.6078 ± 0.0004 Å |
α | 90° |
β | 99.195 ± 0.004° |
γ | 90° |
Cell volume | 1780.35 ± 0.1 Å3 |
Cell temperature | 140 ± 2 K |
Ambient diffraction temperature | 140 ± 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 | 0.0424 |
Residual factor for significantly intense reflections | 0.0414 |
Weighted residual factors for significantly intense reflections | 0.1137 |
Weighted residual factors for all reflections included in the refinement | 0.1145 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4124735.html
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