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Information card for entry 7206756
Preview
Coordinates | 7206756.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C138 H90 Cl12 N18 Zn6 |
---|---|
Calculated formula | C138 H90 Cl12 N18 Zn6 |
SMILES | c1cc2cc[n]1[Zn](Cl)([n]1ccc(c3nc(c4cc[n](cc4)[Zn]([n]4ccc(c5nc(c6cc[n](cc6)[Zn]([n]6ccc(c7cc(cc(c8cc[n](cc8)[Zn]([n]8ccc(c9nc(c%10cc[n](cc%10)[Zn]([n]%10ccc(c%11nc(c%12cc[n](cc%12)[Zn]([n]%12ccc(c%13cc(cc2n%13)c2ccc(cc2)C#C)cc%12)(Cl)Cl)cc(c%11)c2ccc(cc2)C#C)cc%10)(Cl)Cl)cc(c9)c2ccc(cc2)C#C)cc8)(Cl)Cl)n7)c2ccc(cc2)C#C)cc6)(Cl)Cl)cc(c5)c2ccc(cc2)C#C)cc4)(Cl)Cl)cc(c3)c2ccc(cc2)C#C)cc1)Cl |
Title of publication | Zinc(ii) coordination polymers, metallohexacycles and metallocapsules—do we understand self-assembly in metallosupramolecular chemistry: algorithms or serendipity? |
Authors of publication | Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A. |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 22 |
Pages of publication | 6864 |
a | 8.793 ± 0.002 Å |
b | 23.662 ± 0.006 Å |
c | 24.672 ± 0.006 Å |
α | 68.897 ± 0.019° |
β | 87.31 ± 0.02° |
γ | 80.27 ± 0.02° |
Cell volume | 4720 ± 2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0885 |
Residual factor for significantly intense reflections | 0.0816 |
Weighted residual factors for significantly intense reflections | 0.2271 |
Weighted residual factors for all reflections included in the refinement | 0.2349 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Duplicate of | 7206755 |
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/7206756.html
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