Information card for entry 7114318

Structure parameters

• Formula: C38 H33 Ir O3 P2 S
• Calculated formula: C33.6 H30.4 Ir0.8 O3.2 P1.6 S0.8
• Title of publication: Reaction of singlet oxygen with Ir(i) and Rh(i) thiolato complexes: oxidative addition vs. S-oxidationElectronic supplementary information (ESI) available: experimental crystallographic details. See http://www.rsc.org/suppdata/cc/b1/b110396m/
• Authors of publication: Ho, David G.; Ismail, Rehana; Franco, Nestor; Gao, Ruomei; Leverich, Edward P.; Tsyba, Irina; Ho, Nam Nhat; Bau, Robert; Selke, Matthias
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 6
• Pages of publication: 570
• a: 9.7548 ± 0.0008 Å
• b: 17.6521 ± 0.0015 Å
• c: 22.68 ± 0.002 Å
• α: 90°
• β: 99.54 ± 0.001°
• γ: 90°
• Cell volume: 3851.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0528
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for all reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.0704
• Goodness-of-fit parameter for all reflections: 0.703
• Goodness-of-fit parameter for significantly intense reflections: 0.8
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No