Information card for entry 4065575

Structure parameters

• Formula: C76 H74 B F24 Ir N2 S
• Calculated formula: C76 H70 B F23.97 Ir N2 S
• Title of publication: Synthesis and Reactions of Coordinatively Unsaturated Half-Sandwich Rhodium and Iridium Complexes Having a 2,6-Dimesitylbenzenethiolate Ligand
• Authors of publication: Sakamoto, Mayumi; Ohki, Yasuhiro; Tatsumi, Kazuyuki
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 7
• Pages of publication: 1761
• a: 14.072 ± 0.004 Å
• b: 14.753 ± 0.004 Å
• c: 20.935 ± 0.005 Å
• α: 98.802 ± 0.002°
• β: 100.479 ± 0.002°
• γ: 113.803 ± 0.003°
• Cell volume: 3784.3 ± 1.7 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No