Information card for entry 4067196

Structure parameters

• Formula: C31 H26 O4 P2 Ru2 S2
• Calculated formula: C31 H26 O4 P2 Ru2 S2
• SMILES: [Ru]123([Ru]4([S]1CC[S]24)([P](C[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O])(C#[O])C#[O]
• Title of publication: Diphosphine Mobility at a Binuclear Metal Center: A Concerted Double Trigonal-Twist in Bis(dithiolate) Complexes [M2(CO)4(μ-dppm){μ-S(CH2)nS}] (M = Fe, Ru;n= 2, 3)
• Authors of publication: Hogarth, Graeme; Kabir, Shariff E.; Richards, Idris
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 23
• Pages of publication: 6559
• a: 19.998 ± 0.004 Å
• b: 52.874 ± 0.011 Å
• c: 8.7981 ± 0.0019 Å
• α: 90°
• β: 96.52 ± 0.003°
• γ: 90°
• Cell volume: 9243 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No