Information card for entry 4300105

Structure parameters

• Formula: C47 H57 Cl4 Ir2 N O2 P2 S3
• Calculated formula: C47 H56 Cl4 Ir2 N O2 P2 S3
• Title of publication: Syntheses, Structures, and Reactivities of Mono- and Dinuclear Iridium Thiolato Complexes Containing Nitrosyl Ligands
• Authors of publication: Shoji Matsukawa; Shigeki Kuwata; Masanobu Hidai
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 791 - 798
• a: 12.71 ± 0.003 Å
• b: 13.838 ± 0.003 Å
• c: 16.732 ± 0.002 Å
• α: 93.18 ± 0.01°
• β: 91.66 ± 0.01°
• γ: 117.33 ± 0.01°
• Cell volume: 2605.4 ± 0.9 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0342
• Weighted residual factors for all reflections included in the refinement: 0.0342
• Goodness-of-fit parameter for all reflections included in the refinement: 2.43
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No