Information card for entry 7010585

Structure parameters

• Chemical name: (Et4N)[Ru(dithiolate)2(PPh3)2]
• Formula: C52 H50 N5 P2 Ru S4
• Calculated formula: C52 H50 N5 P2 Ru S4
• 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: 17.188 ± 0.002 Å
• b: 12.8718 ± 0.0011 Å
• c: 22.896 ± 0.003 Å
• α: 90°
• β: 101.873 ± 0.008°
• γ: 90°
• Cell volume: 4957.2 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0581
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for all reflections: 0.0937
• Weighted residual factors for significantly intense reflections: 0.0806
• Goodness-of-fit parameter for all reflections: 0.984
• Goodness-of-fit parameter for significantly intense reflections: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No