Information card for entry 7129922

Structure parameters

• Formula: C108.64 H105.96 N18 O3.16 Ru4
• Calculated formula: C108.644 H105.962 N18 O3.161 Ru4
• Title of publication: Phenylene as an Efficient Mediator for Intermetallic Electronic Coupling
• Authors of publication: Miller-Clark, Lyndsy A; Raghavan, Adharsh; Clendening, Reese; Ren, Tong
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 22.2621 ± 0.001 Å
• b: 22.2426 ± 0.0009 Å
• c: 20.7463 ± 0.0009 Å
• α: 90°
• β: 109.053 ± 0.002°
• γ: 90°
• Cell volume: 9710.1 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0457
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No