Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4301907
Preview
Coordinates | 4301907.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C140 H101.6 Cu16 F36 N96 O54.8 S12 |
---|---|
Calculated formula | C136 H96 Cu16 F24 N96 O40 S8 |
SMILES | C12c3ccc4[n]5[n]3[Cu]367[O]1[Cu]189([n]%10cccnc%10C(N)=[N]1N=2)[N](N=C1[O]8[Cu]28%10[n]%11[n]%12c(C%13=N[N]%14=C(c%15[n](cccn%15)[Cu]%15%16%17%14[N](N=C%14[O]%16[Cu]%16%18%19[n]%20[n]%21c(C%22=N[N]%23=C(c%24[n](cccn%24)[Cu]%24%25%26%23[N](N=C%23[O]%25[Cu]%25%27%28[n]%29[n]%30c(C%31=N[N]%32[Cu]%33%34%35([N](N=C4[O]%33[Cu]4%335[O]5C(=N[N]4=C(c4[n]%33cccn4)N)c4ccc%33C%36=N[N]%37=C(c%38nccc[n]%38[Cu]%21%37([O]%36[Cu]%21%36[n]%33[n]4[Cu]45[O]5C(=N[N]%33=C(c%37nccc[n]%37[Cu]5%30%33[O]%31%34)N)c5ccc%30C(=N[N]%10=C(c%10[n]8cccn%10)N)[O]2[Cu]2([O]3C(=N[N]6=C(c3nccc[n]73)N)c3ccc6C(=N[N]%19=C(c7[n]%18cccn7)N)[O]%16[Cu]7([O]8C(=N[N]%10=C(c%16nccc[n]%16[Cu]8%12%10[O]%13%15)N)c8ccc(C(=N[N]%28=C(c%10[n]%27cccn%10)N)[O]%25%36)[n]%21[n]78)[n]6[n]23)[n]%30[n]54)[O]%22%24)N)=C(N)c2nccc[n]%352)[n]2cccnc2C=%32N)ccc%23%29)=C(c2nccc[n]%262)N)N)ccc%14%20)=C(c2nccc[n]%172)N)N)ccc1%11)=C(c1nccc[n]91)N.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-] |
Title of publication | Magnetic [nxn] (n= 2-5) Grids by Directed Self-Assembly |
Authors of publication | Louise N. Dawe; Konstantin V. Shuvaev; Laurence K. Thompson |
Journal of publication | Inorganic Chemistry |
Year of publication | 2009 |
Journal volume | 48 |
Pages of publication | 3323 - 3341 |
a | 23.579 ± 0.003 Å |
b | 23.579 ± 0.003 Å |
c | 22.196 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 12340 ± 2 Å3 |
Cell temperature | 138 ± 2 K |
Ambient diffraction temperature | 138 ± 2 K |
Number of distinct elements | 7 |
Space group number | 86 |
Hermann-Mauguin space group symbol | P 42/n :2 |
Hall space group symbol | -P 4bc |
Residual factor for all reflections | 0.1334 |
Residual factor for significantly intense reflections | 0.1133 |
Weighted residual factors for significantly intense reflections | 0.319 |
Weighted residual factors for all reflections included in the refinement | 0.34 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.245 |
Diffraction radiation wavelength | 0.7107 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/4301907.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.