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Information card for entry 7107045
Preview
Coordinates | 7107045.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C152 H176 N8 O34 Pd2 S10 |
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Calculated formula | C152 H176 N8 O34 Pd2 S10 |
SMILES | CS(C)=O.CS(C)=O.CS(C)=O.CS(C)=O.CS(C)=O.CS(C)=O.O=S(=O)([O-])C[C@@]12C(=O)C[C@@H](CC1)C2(C)C.c1ccc2c[n]1[Pd]13[n]4cccc(c4)COc4ccc(cc4)C(=O)c4ccc(cc4)OCc4c[n](ccc4)[Pd]([n]4cc(COc5ccc(C(=O)c6ccc(cc6)OC2)cc5)ccc4)([n]2cc(COc4ccc(C(=O)c5ccc(cc5)OCc5ccc[n]1c5)cc4)ccc2)[n]1cc(COc2ccc(C(=O)c4ccc(cc4)OCc4ccc[n]3c4)cc2)ccc1.C([C@@]12C(=O)C[C@@H](CC1)C2(C)C)S(=O)(=O)[O-].C([C@]12CC[C@H](CC1=O)C2(C)C)S(=O)(=O)[O-].[C@@]12(CC[C@H](CC1=O)C2(C)C)CS(=O)(=O)[O-] |
Title of publication | Pd2+***O3SR^-^ interaction encourages anion encapsulation in a quadruply-stranded Pd complex to achieve chirality or high solubility |
Authors of publication | Ryo Sekiya; Reiko Kuroda |
Journal of publication | Chem.Commun. |
Year of publication | 2011 |
Journal volume | 47 |
Pages of publication | 12346 |
a | 14.6994 ± 0.0011 Å |
b | 16.5936 ± 0.0012 Å |
c | 17.1117 ± 0.0012 Å |
α | 83.298 ± 0.001° |
β | 85.992 ± 0.001° |
γ | 63.96 ± 0.001° |
Cell volume | 3723.7 ± 0.5 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 6 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.04 |
Residual factor for significantly intense reflections | 0.0361 |
Weighted residual factors for significantly intense reflections | 0.0953 |
Weighted residual factors for all reflections included in the refinement | 0.0974 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation probe | x-ray |
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/7107045.html
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