Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7107279
Preview
Coordinates | 7107279.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C124 H222 Ce22 O88 |
---|---|
Calculated formula | C124 H222 Ce22 O88 |
SMILES | [Ce]123456[O]78[Ce]9%10%11%12%13[O]%142[Ce]2%15%16%17%18%19[O]%20%21[Ce]%22%23%24%25%26[O]%27%28[Ce]%29%30%31%32%33[O]%34[Ce]%35%36%37%38%39%40%41[O]3[Ce]3%42%43%44%45%34([O]([Ce]%34%46%47%48%49([O]%15[Ce]%15%50%51%52%21([O]%47[Ce]%21%47%53%28([O]%28[Ce]%54%55%56%57%58%27[O]%32([Ce]%27%32%59%60%61([O]%35C(=O%61)C(C)C)([O]%36C(=[O][Ce]%35%36%61%62%63([O]%64[Ce]%65%66%67%688([O]8[Ce]%69%70%71%727([O]7%10[Ce]%10%73%74%75%76([O]9%16[Ce]9%16%77%20([O]%12[Ce]%12%20%78%79%80([O](C(=[O]%80)C(C)C)[Ce]%80%81%64([O]%11%65CC(C8)(C7)C)([O]=C([O]%36)C(C)C)([O]=C(O%67)C(C)C)[O]%62[Ce]7%14([O]6%37%61)([O]%22%12[Ce]6([O]%327)([O]%54%59)([O]%25%57CC(C[O]%47%55)(C[O]%26%15%53)C)([O]%78C(=[O]6)C(C)C)([O]=C([O]%60)C(C)C)([O]=C(O%56)C(C)C)[O]%79C(=[O]%81)C(C)C)([O]%19%23%30)([O]%31%38%27)[O]%13%20%80)([O]%249)[O]=C(O%16)C(C)C)([O]%75C(=[O]%74)C(C)C)([O]%50C(=[O]%77)C(C)C)[O]%76C(=[O]%52)C(C)C)([O]%18[Ce]6([O]123)([O]%69%10)([O]4%70CC(C[O]%68%72)(C[O]5%35%66)C)(OC(=[O]%73)C(C)C)([O]%43C(=[O]%34)C(C)C)[O]%45C(=[O]6)C(C)C)[O]=C(O%71)C(C)C)OC(=O)C(C)C)[O]=C(O%63)C(C)C)[O]%40=C(O%41)C(C)C)C(C)C)[O]=C(O%58)C(C)C)CC(C[O]%33%46%21)(C%28)C)(OC(=[O]%49)C(C)C)[O]=C(O%51)C(C)C)[O]=C(O%48)C(C)C)[O]%17%29%42)C(=[O]%44)C(C)C)[O]=C(O%39)C(C)C |
Title of publication | Cerium oxide nanoclusters: commensurate with concepts of polyoxometalate chemistry? |
Authors of publication | Iurii L. Malaestean; Arkady Ellern; Svetlana Baca; Paul Kogerler |
Journal of publication | Chem.Commun. |
Year of publication | 2012 |
Journal volume | 48 |
Pages of publication | 1499 |
a | 33.045 ± 0.003 Å |
b | 18.2348 ± 0.0011 Å |
c | 32.962 ± 0.002 Å |
α | 90° |
β | 91.474 ± 0.002° |
γ | 90° |
Cell volume | 19855 ± 2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1225 |
Residual factor for significantly intense reflections | 0.0678 |
Weighted residual factors for significantly intense reflections | 0.1796 |
Weighted residual factors for all reflections included in the refinement | 0.2337 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
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/7107279.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.