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Information card for entry 1548196
Preview
Coordinates | 1548196.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41.5 H31 F12 N7 P2 Ru |
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Calculated formula | C41.5 H31 F12 N7 P2 Ru |
SMILES | [Ru]123([n]4cccc5c4c4[n]1cccc4cc5)([n]1cccc4ccc5ccc[n]2c5c14)[n]1cccc2ccc4ccc[n]3c4c12.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.c1(ccccc1)C |
Title of publication | Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules |
Authors of publication | Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su |
Journal of publication | Nature Communications |
Year of publication | 2016 |
Journal volume | 7 |
Pages of publication | 10487 |
a | 25.5619 ± 0.0002 Å |
b | 25.5619 ± 0.0002 Å |
c | 12.5769 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8217.88 ± 0.16 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 76 |
Hermann-Mauguin space group symbol | P 41 |
Hall space group symbol | P 4w |
Residual factor for all reflections | 0.0772 |
Residual factor for significantly intense reflections | 0.0678 |
Weighted residual factors for significantly intense reflections | 0.1681 |
Weighted residual factors for all reflections included in the refinement | 0.1759 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1548196.html
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