Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7103423
Preview
Coordinates | 7103423.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C136 H150 N16 Na O71 S8 Zn3 |
---|---|
Calculated formula | C136 H86 N16 Na O71 S8 Zn3 |
SMILES | c1(c2cc(cc1Cc1cc(S(=O)(=O)[O-])cc(c1[O-])Cc1cc(cc(c1[O-])Cc1cc(S(=O)(=O)[O-])cc(c1[O-])C2)S(=O)(=O)[O-])S(=O)(=O)[O-])[O-].O.O.[Zn]123([O]=n4c(c5n(=[O]1)cccc5)cccc4)([O]=n1c(c4n(=[O]2)cccc4)cccc1)[O]=n1c(c2n(=[O]3)cccc2)cccc1.[n]12ccccc1c1[n](cccc1)=[O][Zn]13([O]=2)([O]=n2ccccc2c2n(cccc2)=[O]1)[O]=n1ccccc1c1n(cccc1)=[O]3.[n]12ccccc1c1n3=[O][Zn]4([O]=n5c3c(cc1)ccc5c1n(=[O]4)cccc1)[O]=2.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O=S(=O)([O-])c1cc2c([O-])c(c1)Cc1cc(S(=O)(=O)[O-])cc(c1[O-])Cc1cc(S(=O)(=O)[O-])cc(c1[O-])Cc1c(c(cc(c1)S(=O)(=O)[O-])C2)[O-].O.O.O.O.O.O |
Title of publication | Constructing channel structures based on the assembly of p-sulfonatocalix[4]arene nanocapsules and [M(bpdo)3]2+ (M=Cu, Zn). |
Authors of publication | Zheng, Guo-li; Li, Yin-Yan; Guo, Hua-Dong; Song, Shu-Yan; Zhang, Hong-Jie |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2008 |
Journal issue | 40 |
Pages of publication | 4918 - 4920 |
a | 36.9777 ± 0.0018 Å |
b | 36.6324 ± 0.0018 Å |
c | 15.4075 ± 0.0008 Å |
α | 90° |
β | 98.515 ± 0.001° |
γ | 90° |
Cell volume | 20640.7 ± 1.8 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 7 |
Space group number | 12 |
Hermann-Mauguin space group symbol | C 1 2/m 1 |
Hall space group symbol | -C 2y |
Residual factor for all reflections | 0.1719 |
Residual factor for significantly intense reflections | 0.1156 |
Weighted residual factors for significantly intense reflections | 0.2885 |
Weighted residual factors for all reflections included in the refinement | 0.3232 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7103423.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.