Information card for entry 4076061

Structure parameters

• Formula: C41 H40 Cl6 Ir N P2 S
• Calculated formula: C41.001 H40.002 Cl6.002 Ir N P2 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: 12.5073 ± 0.0018 Å
• b: 12.9507 ± 0.0016 Å
• c: 13.3127 ± 0.0011 Å
• α: 85.265 ± 0.007°
• β: 87.535 ± 0.012°
• γ: 88.242 ± 0.012°
• Cell volume: 2146.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0717
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No