Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4082234
Preview
Coordinates | 4082234.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C124 F24 Fe2 N8 O40 Ru8 S8 |
---|---|
Calculated formula | C147 F24 Fe2 N8 O39 Ru8 S8 |
SMILES | [cH]12[cH]3[cH]4[cH]5[c]6(C)[cH]1[Ru]1234567[O]=C8O[Ru]23456([cH]9[cH]3[cH]6[c]5([cH]4[cH]29)C)([O]=C8O1)[n]1ccc(cc1)[C]12=[C]34c5cc[n](cc5)[Ru]5689%10%11([cH]%12[cH]6[c]5([cH]9[cH]%10[c]8%12C)CC)OC5=[O][Ru]689%10%12([cH]%13[c]6([cH]8[cH]%12[cH]9[cH]%10%13)C)([O]=C5O%11)[n]5ccc(cc5)[C]56=[C]89c%10cc[n](cc%10)[Ru]%10%11%12%13%14%15([c]%16([cH]%11[cH]%12[cH]%13[cH]%14[cH]%15%16)C)[O]=C%11[O][Ru]%12%13%14%15%16([c]%17([cH]%12[cH]%13[cH]%14[cH]%15[cH]%16%17)C)(OC%11=[O]%10)[n]%10ccc(cc%10)[C]%102[Fe]2%11%12%1314([c]1([c]2([c]%11([c]%12([c]%131C)C)C)C)C)[C]3=%10c1cc[n](cc1)[Ru]1234%10%11([c]%12([cH]2[cH]4[cH]3[cH]%10[c]%11%12CC)C)[O]=C2O[Ru]34%10%11%12([c]%13([cH]4[cH]%10[c]%11([cH]%12[cH]3%13)C)C)([O]=C2O1)[n]1ccc(cc1)[C]91[Fe]234968([C]5=1c1cc[n]7cc1)[c]1([c]2([c]4([c]9([c]31C)C)C)C)C.FC(F)(S(=O)(=O)[O-])F.S(=O)(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F |
Title of publication | A Ruthenium‒Iron Bimetallic Supramolecular Cage withD4Symmetry from a Tetrapyridyl Iron(I) Metalloligand |
Authors of publication | Ryu, Ji Yeon; Lee, Ji Min; Park, Yu Jin; Nghia, Nguyen Van; Lee, Min Hyung; Lee, Junseong |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 24 |
Pages of publication | 7272 |
a | 25.1459 ± 0.0006 Å |
b | 25.1199 ± 0.0006 Å |
c | 30.3639 ± 0.0008 Å |
α | 90° |
β | 90.075 ± 0.002° |
γ | 90° |
Cell volume | 19179.7 ± 0.8 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.3334 |
Residual factor for significantly intense reflections | 0.2263 |
Weighted residual factors for significantly intense reflections | 0.5499 |
Weighted residual factors for all reflections included in the refinement | 0.6117 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.217 |
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/4082234.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.