Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1508119
Preview
Coordinates | 1508119.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C192 H96 Cu24 O120 |
---|---|
Calculated formula | C192 H96 Cu24 O120 |
SMILES | [Cu]1234([Cu]567([O]=C(O1)c1cc(C8=[O][Cu]9%10%11([Cu]%12%13(O8)([O]=C(O9)c8cccc(c8)C8=[O][Cu]9%14%15([Cu]%16%17(O8)([O]=C(O9)c8cccc(c8)C8=[O][Cu]9%18%19([Cu]%20%21(O8)([O]=C(O9)c8cccc(c8)C8=[O][Cu]9%22%23([Cu]%24(O8)([O]=C(O9)c8cccc(C9=[O][Cu]%25%26%27([Cu]([O]=C(O%25)c%25cccc(C(=[O]2)O5)c%25)(OC(=[O]%26)c2cccc(c2)C(=[O]%18)O%20)([O]=C(O%27)c2cccc(C(O%10)=[O]%12)c2)(O9)[OH2])[OH2])c8)([OH2])[O]=C(O%22)c2cccc(c2)C2=[O][Cu]589([Cu]%10([O]=C(O5)c5cccc(C%12=[O][Cu]%18%20%22([Cu]%25([O]=C(O%18)c%18cccc(C%26=[O][Cu]%27%28%29([Cu](O%26)([O]=C(O%27)c%26cccc(C(=[O]%15)O%17)c%26)([O]=C(O%28)c%15cccc(c%15)C%15=[O][Cu]%17%26%27([Cu]%28(O%15)([O]=C(O%17)c%15cccc(c%15)C%15=[O][Cu]%17%30%31([Cu]([O]=C(O%17)c%17cccc(C(=[O]8)O%10)c%17)([O]=C(O%30)c8cccc(c8)C8=[O][Cu]%10%17%30([Cu](O8)([O]=C(O%10)c8cccc(c8)C(O%14)=[O]%16)([O]=C(O%17)c8cccc(c8)C(=[O]%11)O%13)(OC(=[O]%30)c8cccc(C(=[O]%27)O%28)c8)[OH2])[OH2])(O%15)(OC(=[O]%31)c8cccc(c8)C(O4)=[O]7)[OH2])[OH2])([O]=C(O%26)c4cccc(C(=[O]%22)O%25)c4)[OH2])[OH2])(OC(=[O]%29)c4cccc(C(O%19)=[O]%21)c4)[OH2])[OH2])c%18)(O%12)([O]=C(O%20)c4cccc(C(=[O]%23)O%24)c4)[OH2])[OH2])c5)(O2)([O]=C(O9)c2cccc(c2)C(=[O]3)O6)[OH2])[OH2])[OH2])[OH2])[OH2])[OH2])[OH2])[OH2])[OH2])ccc1)[OH2])[OH2] |
Title of publication | Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra. |
Authors of publication | Li, Jian-Rong; Zhou, Hong-Cai |
Journal of publication | Nature chemistry |
Year of publication | 2010 |
Journal volume | 2 |
Journal issue | 10 |
Pages of publication | 893 - 898 |
a | 24.3386 ± 0.0018 Å |
b | 24.4267 ± 0.0018 Å |
c | 25.442 ± 0.003 Å |
α | 112.19 ± 0.001° |
β | 115.547 ± 0.001° |
γ | 98.071 ± 0.001° |
Cell volume | 11774 ± 1.9 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1092 |
Residual factor for significantly intense reflections | 0.0638 |
Weighted residual factors for significantly intense reflections | 0.1315 |
Weighted residual factors for all reflections included in the refinement | 0.1389 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
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/1508119.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.