Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7120392
Preview
| Coordinates | 7120392.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C156 H120 Cu12 N12 O60 |
|---|---|
| Calculated formula | C156 H120 Cu12 N12 O60 |
| SMILES | c1(cc2cc(c1)C1=[O][Cu]345([Cu]67([O]=C(c8cccc(/N=N/c9cccc(c9)C9=[O][Cu]%10%11%12([Cu]%13%14([O]=C(c%15cc(cc(c%15)C%15=[O][Cu]%16%17%18([Cu]%19%20([O]=C(c%21cccc(/N=N/c%22cccc(c%22)C%22=[O][Cu]%23%24%25([Cu]([O]=C2O%23)([O]=C(O%24)c2cccc(/N=N/c%23cccc(c%23)C%23=[O][Cu]%24%26%27([O]=C(O[Cu]%27([O]=C(O%24)c%24cc(cc(c%24)C(=[O]%12)O%14)C(C)(C)C)([O]=C(O%26)c%12cccc(/N=N/c%14cccc(c%14)C(=[O]3)O7)c%12)(O%23)[OH2])c3cc(cc(c3)C(C)(C)C)C(=[O]%18)O%20)[OH2])c2)(O%22)(OC(c2cc(cc(c2)C(C)(C)C)C2=[O][Cu]37%12([O]=C(O[Cu]%12([O]=C(O3)c3cc(cc(c3)C(C)(C)C)C(O4)=[O]6)(O2)([O]=C(O7)c2cccc(/N=N/c3cccc(c3)C(O%17)=[O]%19)c2)[OH2])c2cccc(/N=N/c3cccc(c3)C(O%11)=[O]%13)c2)[OH2])=[O]%25)[OH2])[OH2])c%21)O%16)(O%15)[OH2])[OH2])C(C)(C)C)O%10)(O9)[OH2])[OH2])c8)O5)(O1)[OH2])[OH2])C(C)(C)C |
| Title of publication | Anisotropic coordination star polymers realized by self-sorting core modulation |
| Authors of publication | Hosono, Nobuhiko; Omoto, Kenichiro; Kitagawa, Susumu |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 20.1292 ± 0.0004 Å |
| b | 21.7528 ± 0.0004 Å |
| c | 22.5286 ± 0.0004 Å |
| α | 107.991 ± 0.0018° |
| β | 99.9315 ± 0.0016° |
| γ | 108.128 ± 0.0018° |
| Cell volume | 8513.8 ± 0.3 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 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 | 0.1149 |
| Residual factor for significantly intense reflections | 0.0801 |
| Weighted residual factors for significantly intense reflections | 0.2499 |
| Weighted residual factors for all reflections included in the refinement | 0.273 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198496 (current) | 2017-07-06 | cif/ Adding structures of 7120392 via cif-deposit CGI script. |
7120392.cif |
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.