Information card for entry 4076060

Structure parameters

• Formula: C41 H37 Cl4 N O P2 Ru S
• Calculated formula: C41 H37 Cl4 N O P2 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: 17.314 ± 0.002 Å
• b: 9.4199 ± 0.001 Å
• c: 25.059 ± 0.003 Å
• α: 90°
• β: 92.716 ± 0.008°
• γ: 90°
• Cell volume: 4082.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1972
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1692
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No