Information card for entry 7714993

Structure parameters

• Formula: C76 H77 Cl2 F6 N7 O2 P3 Ru3
• Calculated formula: C76 H77 Cl2 F6 N7 O2 P3 Ru3
• Title of publication: Syntheses, crystal structures and MMCT properties of diruthenium-based cyanido-bridged RuV/VI2-NC-Ru^II complexes.
• Authors of publication: Li, Ting-Ya; Su, Shao-Dong; He, Yong; Wu, Xin-Tao; Sheng, Tian-Lu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 5010 - 5019
• a: 10.6594 ± 0.0002 Å
• b: 12.7768 ± 0.0002 Å
• c: 52.3229 ± 0.001 Å
• α: 90°
• β: 91.033 ± 0.002°
• γ: 90°
• Cell volume: 7124.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0753
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No