Information card for entry 4087917

Structure parameters

• Chemical name: DS-96
• Formula: C37 H36 Cl F6 N4 O7 P2 Rh S2
• Calculated formula: C37 H36 Cl F6 N4 O7 P2 Rh S2
• Title of publication: 1,3-Dimethyl-4-(diphenylphosphino)imidazolium Triflate: A Functionalized Ionic Liquid with Ambivalent Coordination Capability
• Authors of publication: Ruiz, Javier; Mesa, Alejandro F.; Sol, Daniel
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 20
• Pages of publication: 5129
• a: 8.3407 ± 0.0002 Å
• b: 19.9152 ± 0.0005 Å
• c: 25.3728 ± 0.0005 Å
• α: 90°
• β: 98.0744 ± 0.0011°
• γ: 90°
• Cell volume: 4172.81 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No