Information card for entry 4076059

Structure parameters

• Formula: C42 H37 Cl3 F6 N O2 P3 Ru S
• Calculated formula: C42 H37 Cl3 F6 N O2 P3 Ru S
• Title of publication: Thiocarbamoyl Complexes of Ruthenium(II), Rhodium(III), and Iridium(III)
• Authors of publication: Hill, Anthony F.; Tocher, Derek A.; White, Andrew J. P.; Williams, David J.; Wilton-Ely, James D. E. T.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 22
• Pages of publication: 5342
• a: 13.062 ± 0.004 Å
• b: 14.194 ± 0.007 Å
• c: 15.229 ± 0.004 Å
• α: 66.88 ± 0.03°
• β: 70.28 ± 0.02°
• γ: 63.82 ± 0.03°
• Cell volume: 2283.8 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No