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Information card for entry 1518852
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| Coordinates | 1518852.cif |
|---|---|
| External links | PubChem |
| Formula | C17 H8 F12 N2 |
|---|---|
| Calculated formula | C17 H8 F12 N2 |
| SMILES | FC(F)(F)c1cc(/N=C/Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc(c1)C(F)(F)F |
| Title of publication | Synthesis, structures, and properties of lantern-type dinuclear ruthenium(II,III) complexes cis-[Ru2{3,5-(CF3)2-pf}2(O2CMe)2Cl] and [Ru2{3,5-(CF3)2-pf}3(O2CMe)Cl], 3,5-(CF3)2-pf- = N,N'-bis[3,5-bis(trifluoromethyl)phenyl]formamidinate anion |
| Authors of publication | Yasuko Harada; Takahisa Ikeue; Yuki Ide; Yuko Kimura; Ichiro Hiromitsu; Daisuke Yoshioka; Masahiro Mikuriya; Yusuke Kataoka; Makoto Handa |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2015 |
| Journal volume | 424 |
| Pages of publication | 186 - 193 |
| a | 8.4009 ± 0.0013 Å |
| b | 8.9051 ± 0.0014 Å |
| c | 12.0229 ± 0.0019 Å |
| α | 98.324 ± 0.003° |
| β | 98.474 ± 0.003° |
| γ | 91.035 ± 0.003° |
| Cell volume | 879.5 ± 0.2 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 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 | 0.0577 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.1052 |
| Weighted residual factors for all reflections included in the refinement | 0.1103 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.977 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1518852.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518852.cif |
| 133933 | 2015-03-15 | cif/ Adding structures of 1518852 via cif-deposit CGI script. |
1518852.cif |
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Users of the data should acknowledge the original authors of the
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