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Information card for entry 7010584
Preview
Coordinates | 7010584.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (Et4N)2Ru[S2C2(CN)2]2Br2 |
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Formula | C24 H40 Br2 N6 Ru S4 |
Calculated formula | C24 H40 Br2 N6 Ru S4 |
SMILES | Br[Ru]12(SC(C#N)=C(S1)C#N)(Br)SC(C#N)=C(S2)C#N.C(C)[N+](CC)(CC)CC.C(C)[N+](CC)(CC)CC |
Title of publication | The chemistry of ruthenium complexes of 1,2-dicyanoethylene dithiolate (mnt2‒). Synthesis and characterization of [RuIV/III(mnt)3]2‒/3‒ and the derivatives trans-[RuIII(mnt)2(PPh3)2]‒, trans-[RuIII(mnt)2(py)2]‒ and trans-[RuIV(mnt)2(Br)2]2‒ |
Authors of publication | Maiti, Rabindranath; Shang, Maoyu; Lappin, A. Graham |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2002 |
Journal issue | 2 |
Pages of publication | 244 |
a | 7.2017 ± 0.0006 Å |
b | 9.4615 ± 0.0008 Å |
c | 12.5828 ± 0.0012 Å |
α | 75.457 ± 0.007° |
β | 88.446 ± 0.007° |
γ | 81.798 ± 0.007° |
Cell volume | 821.38 ± 0.13 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0322 |
Residual factor for significantly intense reflections | 0.0261 |
Weighted residual factors for significantly intense reflections | 0.0632 |
Weighted residual factors for all reflections included in the refinement | 0.0657 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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