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Information card for entry 7215412
Preview
Coordinates | 7215412.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C68 H36 Cl12 N8 O12 Zn4 |
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Calculated formula | C68 H36 Cl12 N8 O12 Zn4 |
SMILES | c1ccc2[n](c1)[Zn]13([n]4c2cccc4)[O]=C2O[Zn]4([n]5ccccc5c5[n]4cccc5)(Oc4c(Cl)cc(c(c24)Cl)Cl)[O]=C2O[Zn]4([n]5c(cccc5)c5[n]4cccc5)([O]=C4O[Zn]5([O]=C(O1)c1c(c(cc(c1O3)Cl)Cl)Cl)([n]1ccccc1c1cccc[n]51)Oc1c(cc(c(c41)Cl)Cl)Cl)Oc1c(cc(c(c21)Cl)Cl)Cl |
Title of publication | Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction |
Authors of publication | Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 20 |
Pages of publication | 6136 |
a | 10.9481 ± 0.0008 Å |
b | 13.2205 ± 0.0009 Å |
c | 13.9222 ± 0.0016 Å |
α | 106.761 ± 0.003° |
β | 102.853 ± 0.003° |
γ | 108.249 ± 0.002° |
Cell volume | 1720.6 ± 0.3 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0436 |
Residual factor for significantly intense reflections | 0.0299 |
Weighted residual factors for significantly intense reflections | 0.0681 |
Weighted residual factors for all reflections included in the refinement | 0.0719 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
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/7215412.html
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Users of the data should acknowledge the original authors of the
structural data.