Information card for entry 4065945

Structure parameters

• Formula: C93 H84 Cl2 O7 P6 Ru2 S4
• Calculated formula: C93 H82 Cl2 O7 P6 Ru2 S4
• 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: 14.1406 ± 0.0006 Å
• b: 15.1934 ± 0.0006 Å
• c: 24.0947 ± 0.001 Å
• α: 89.176 ± 0.002°
• β: 87.894 ± 0.003°
• γ: 63.428 ± 0.002°
• Cell volume: 4626.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No