Information card for entry 4300106

Structure parameters

• Formula: C72 H72 Cl2 Ir2 P2 S4
• Calculated formula: C72 H72 Cl2 Ir2 P2 S4
• 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: 23.296 ± 0.002 Å
• b: 14.912 ± 0.002 Å
• c: 19.719 ± 0.002 Å
• α: 90°
• β: 101.492 ± 0.009°
• γ: 90°
• Cell volume: 6712.9 ± 1.3 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 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: 0.0398
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections included in the refinement: 0.0439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.559
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No