Information card for entry 4065947

Structure parameters

• Formula: C25 H33 Cl2 O4.5 P2 Ru S4
• Calculated formula: C25 H33 Cl2 O4.5 P2 Ru S4
• SMILES: [Ru]123456([S]=P(S1)(c1ccc(OC)cc1)O)(SP(=O)(S2)c1ccc(OC)cc1)[c]1([c]4([c]5([c]6([c]31C)C)C)C)C.C(Cl)Cl.O
• Title of publication: Ruthenium Complexes with Dithiophosphonates [Ar(RO)PS2]−and [Fc(RO)PS2]−(Ar =p-CH3OC6H4, Fc = Fe(η5-C5H4)(η5-C5H5))
• Authors of publication: Wang, Xi-Ying; Li, Yan; Ma, Qing; Zhang, Qian-Feng
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 12
• Pages of publication: 2752
• a: 12.856 ± 0.0002 Å
• b: 22.4052 ± 0.0004 Å
• c: 23.8151 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6859.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No