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Information card for entry 4506817
Preview
Coordinates | 4506817.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C57 H71 Ag2 Cl2 N3 O17 S4 |
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Calculated formula | C57 H71 Ag2 Cl2 N3 O17 S4 |
SMILES | [Ag]1([S]2Cc3c(OCCOc4c(C[S]1CCOCCOCC2)cccc4)cccc3)[n]1ccc(cc1)c1cc[n]([Ag]2[S]3Cc4c(OCCOc5c(C[S]2CCOCCOCC3)cccc5)cccc4)cc1.CN(C)C=O.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
Title of publication | Assembly of Soft Metal Complexes of an O4S2-Macrocycle Displaying Endocyclic Monomer, Dumbbell-Like Dimer, and Endo-/Exocyclic Polymer Structures |
Authors of publication | Ju, Huiyeong; Lee, Shim Sung |
Journal of publication | Crystal Growth & Design |
Year of publication | 2012 |
Journal volume | 12 |
Journal issue | 10 |
Pages of publication | 4972 |
a | 12.5298 ± 0.0003 Å |
b | 14.3683 ± 0.0003 Å |
c | 18.2953 ± 0.0004 Å |
α | 83.004 ± 0.001° |
β | 88.88 ± 0.001° |
γ | 72.618 ± 0.001° |
Cell volume | 3119.43 ± 0.12 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0459 |
Residual factor for significantly intense reflections | 0.0377 |
Weighted residual factors for significantly intense reflections | 0.098 |
Weighted residual factors for all reflections included in the refinement | 0.1058 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
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/4506817.html
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Users of the data should acknowledge the original authors of the
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