Information card for entry 7123704

Structure parameters

• Formula: C62 H66 Cl Co N10 O9 Ru S4
• Calculated formula: C62 H58 Cl Co N10 O9 Ru S4
• Title of publication: Negatively charged metal-organic hosts with cobalt dithiolene species: Improving PET processes for light-driven proton reduction through host-guest electrostatic interactions
• Authors of publication: Cai, Junkai; Zhao, Liang; Wei, Jianwei; He, Cheng; Long, Saran; Duan, Chunying
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 13.8188 ± 0.0008 Å
• b: 14.0788 ± 0.0009 Å
• c: 18.6554 ± 0.0012 Å
• α: 94.464 ± 0.002°
• β: 101.089 ± 0.002°
• γ: 99.865 ± 0.002°
• Cell volume: 3485.9 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1351
• Residual factor for significantly intense reflections: 0.091
• Weighted residual factors for significantly intense reflections: 0.1977
• Weighted residual factors for all reflections included in the refinement: 0.2175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No