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Information card for entry 4082786
Preview
Coordinates | 4082786.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C180 H178 Cu2 F36 N18 O24 P4 Rh4 S4 |
---|---|
Calculated formula | C168 H152 Cu2 F36 N16 O22 P4 Rh4 S4 |
SMILES | c12c3c4c5c(c6c3c(O[Rh]3789([n]%10ccc(c%11cc%12[n]%13c(c%11)c%11[n](cccc%11)[Cu]%11%14%13([n]%13ccccc%13c%13[n]%11c(cc(c%13)c%11cc[n](cc%11)[Rh]%11%13%15%16%17(Oc%18c%19c(c%20ccccc%20c%20O[Rh]%21%22%23%24([n]%25ccc(c%26cc%27[n]%28c(c%26)c%26[n](cccc%26)[Cu]%26%29%28([n]%28ccccc%28c%28cc(c%30cc[n]([Rh]%31%32%33%34(O1)(O4)[c]1([c]%31([c]%32([c]%33([c]%341C)C)C)C)C)cc%30)cc([n]%26%28)c1[n]%29cccc1)[n]1ccccc%271)cc%25)(Oc(c%19%20)c1ccccc%181)[c]1([c]%24([c]%23([c]%22([c]%211C)C)C)C)C)O%11)[c]1([c]%17([c]%16([c]%15([c]%131C)C)C)C)C)c1[n]%14cccc1)[n]1ccccc%121)cc%10)(O6)[c]1([c]9(C)[c]8(C)[c]7([c]31C)C)C)c1ccccc21)cccc5.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[O-]S(=O)(=O)C(F)(F)F.O=S(=O)(C(F)(F)F)[O-].CCOCC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O=S(=O)([O-])C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F.CCOCC |
Title of publication | Box-like Heterometallic Macrocycles Derived from Bis-Terpyridine Metalloligands |
Authors of publication | Liu, Jing-Jing; Lin, Yue-Jian; Jin, Guo-Xin |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 5 |
Pages of publication | 1283 |
a | 16.1031 ± 0.0004 Å |
b | 29.3824 ± 0.0007 Å |
c | 20.8407 ± 0.0005 Å |
α | 90° |
β | 104.076 ± 0.001° |
γ | 90° |
Cell volume | 9564.7 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 9 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1143 |
Residual factor for significantly intense reflections | 0.0905 |
Weighted residual factors for significantly intense reflections | 0.2472 |
Weighted residual factors for all reflections included in the refinement | 0.269 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4082786.html
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