Information card for entry 7710435

Structure parameters

• Formula: C120.5 H117 Cl5 F12 N26 P2 Ru5
• Calculated formula: C118 H112 F12 N26 P2 Ru5
• Title of publication: The multiple MMCT properties of a diruthenium-based cyanido-bridged complex Ru2VI-NC-RuII-CN-Ru2VI
• Authors of publication: Su, Shaodong; Wen, Yuehong; Wu, Xintao; Sheng, Tianlu
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 11.672 ± 0.005 Å
• b: 11.727 ± 0.005 Å
• c: 24.284 ± 0.009 Å
• α: 81.355 ± 0.014°
• β: 87.766 ± 0.014°
• γ: 89.663 ± 0.011°
• Cell volume: 3284 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.107
• Residual factor for significantly intense reflections: 0.0829
• Weighted residual factors for significantly intense reflections: 0.1974
• Weighted residual factors for all reflections included in the refinement: 0.216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No