Information card for entry 7010584

Structure parameters

• Chemical name: (Et4N)2Ru[S2C2(CN)2]2Br2
• 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 ų
• 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