Information card for entry 4067195

Structure parameters

• Formula: C31 H26 Fe2 O4 P2 S2
• Calculated formula: C31 H26 Fe2 O4 P2 S2
• SMILES: C(#[O])[Fe]123(C#[O])[P](C[P](c4ccccc4)(c4ccccc4)[Fe]43([S]1CC[S]24)(C#[O])C#[O])(c1ccccc1)c1ccccc1
• 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: 17.228 ± 0.0013 Å
• b: 17.228 ± 0.0013 Å
• c: 20.132 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5975.3 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 135
• Hermann-Mauguin space group symbol: P 42/m b c
• Hall space group symbol: -P 4c 2ab
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No