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Information card for entry 7114293
Preview
Coordinates | 7114293.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C78 H86 Cl6 N12 O24 Zn4 |
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Calculated formula | C78 H86 Cl6 N12 O24 Zn4 |
SMILES | [Zn]1234[O]5[Zn]678Oc9c(O6)c(Cl)c6O[Zn]%10%11([O]%12[Zn]%13%14(Oc%15c(Cl)c(O2)c(O1)c(Cl)c%15O%13)[N]1(CCOCCOCCOCC[N]3(Cc2c5c(cc(C)c2)C[N]7(CCOCCOCCOCC[N]%10(Cc2cc(cc(C1)c%122)C)Cc1[n]%11cccc1)Cc1[n]8cccc1)Cc1[n]4cccc1)Cc1[n]%14cccc1)Oc6c9Cl.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CC.N#CC.N#CC.N#CC |
Title of publication | Insertion of a strongly π‒π stacked chloranilate pair into an M4 arrangement preorganized within a large macrocyclic ligand (M = Zn2+ and Cu2+)Electronic supplementary information (ESI) available: Fig S1: variable-temperature EPR spectra. See http://www.rsc.org/suppdata/cc/b2/b202529a/ |
Authors of publication | Yoshino, Atsushi; Matsudaira, Hideo; Asato, Eiji; Koikawa, Masayuki; Shiga, Takuya; Ohba, Masaaki; Okawa, Hisashi |
Journal of publication | Chemical Communications |
Year of publication | 2002 |
Journal issue | 12 |
Pages of publication | 1258 |
a | 17.744 ± 0.002 Å |
b | 19.093 ± 0.002 Å |
c | 15.701 ± 0.002 Å |
α | 113.796 ± 0.005° |
β | 96.578 ± 0.004° |
γ | 102.17 ± 0.005° |
Cell volume | 4637.7 ± 1 Å3 |
Cell temperature | 223.1 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 significantly intense reflections | 0.06 |
Weighted residual factors for all reflections included in the refinement | 0.117 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.891 |
Diffraction radiation wavelength | 0.7107 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/7114293.html
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