Information card for entry 4077783

Structure parameters

• Formula: C18 H32 Ir3 O13 P3 S3 Ti
• Calculated formula: C18 H32 Ir3 O13 P3 S3 Ti
• Title of publication: Sulfido-Bridged Tetranuclear Titanium−Iridium Complexes with an Unconventional Tetrahedral Iridium Center
• Authors of publication: Casado, Miguel A.; Ciriano, Miguel A.; Edwards, Andrew J.; Lahoz, Fernando J.; Oro, Luis A.; Pérez-Torrente, Jesús J.
• Journal of publication: Organometallics
• Year of publication: 1999
• Journal volume: 18
• Journal issue: 16
• Pages of publication: 3025
• a: 10.18 ± 0.001 Å
• b: 25.012 ± 0.004 Å
• c: 26.11 ± 0.005 Å
• α: 90°
• β: 95.51 ± 0.01°
• γ: 90°
• Cell volume: 6617.5 ± 1.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1476
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No