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Information card for entry 7225405
Preview
Coordinates | 7225405.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H68 Ag4 B4 F16 O8 S4 |
---|---|
Calculated formula | C54 H68 Ag4 B4 F16 O8 S4 |
SMILES | [B](F)(F)(F)[F-].C1CC[O]2c3ccccc3C[S]34[Ag]52[O]1c1ccccc1C[S]5(Cc1c(C4)cccc1)[Ag]([F][B](F)(F)F)([OH]C)[S]12[Ag]45[O](CCC[O]4c4ccccc4C2)c2c(C[S]5([Ag]3([F][B](F)(F)F)[OH]C)Cc3c(cccc3)C1)cccc2.OC.[B](F)(F)(F)[F-].OC |
Title of publication | Macrocyclic isomer-dependent supramolecular silver(i) complexes via endo/exo-coordination modes: a tetranuclear bis(macrocycle) complex vs. a 2D coordination polymer |
Authors of publication | Park, In-Hyeok; Kim, Hyun Jee; Ju, Huiyeong; Lee, Eunji; Kim, Seulgi; Lee, Shim Sung |
Journal of publication | CrystEngComm |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 28 |
Pages of publication | 5253 |
a | 13.2688 ± 0.0018 Å |
b | 17.186 ± 0.002 Å |
c | 14.3147 ± 0.0019 Å |
α | 90° |
β | 103.795 ± 0.002° |
γ | 90° |
Cell volume | 3170.1 ± 0.7 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0463 |
Residual factor for significantly intense reflections | 0.0371 |
Weighted residual factors for significantly intense reflections | 0.0991 |
Weighted residual factors for all reflections included in the refinement | 0.1055 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
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/7225405.html
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Users of the data should acknowledge the original authors of the
structural data.