Information card for entry 4115679

Structure parameters

• Formula: C78 H74 Ir2 O2 P4 S2
• Calculated formula: C78 H74 Ir2 O2 P4 S2
• Title of publication: Heterolytic and Homolytic Activation of Dihydrogen at an Unusual Iridium (II) Sulfide
• Authors of publication: Rachel C. Linck; Robert J. Pafford; Thomas B. Rauchfuss
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 8856 - 8857
• a: 23.3048 ± 0.0013 Å
• b: 13.1143 ± 0.0007 Å
• c: 24.1374 ± 0.0013 Å
• α: 90°
• β: 114.435 ± 0.001°
• γ: 90°
• Cell volume: 6716.3 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 0.822
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No