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Information card for entry 1518854
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| Coordinates | 1518854.cif |
|---|
| Formula | C62 H44 Cl F36 N6 O3 Ru2 |
|---|---|
| Calculated formula | C62 H44 Cl F36 N6 O3 Ru2 |
| SMILES | [Ru]1234([Ru]([O]=C(O1)C)([O]=C(C)C)(N(C=[N]2c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(N(C=[N]3c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N(C=[N]4c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cl.CCCCCC |
| 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 | 19.665 ± 0.003 Å |
| b | 16.144 ± 0.002 Å |
| c | 24.095 ± 0.004 Å |
| α | 90° |
| β | 113.993 ± 0.002° |
| γ | 90° |
| Cell volume | 6988.5 ± 1.8 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0851 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.0763 |
| Weighted residual factors for all reflections included in the refinement | 0.0913 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.816 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 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. |
1518854.cif |
| 133935 | 2015-03-15 | cif/ Adding structures of 1518854 via cif-deposit CGI script. |
1518854.cif |
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