Information card for entry 7710988

Structure parameters

• Formula: C88 H82 F12 Fe2 N6 O1.33 P6 Ru
• Calculated formula: C88 H82 F12 Fe2 N6 O1.32 P6 Ru
• Title of publication: The investigation on electron transfer properties between metal centers in binuclear and trinuclear cyanido-bridged mixed valence complexes with cis/trans-configuration
• Authors of publication: xu, qingdou; Chen, Zeng; Su, Shaodong; He, Yong; Liu, Yang; Hu, Shengmin; Wu, Xintao; Sheng, Tianlu
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 11.874 ± 0.004 Å
• b: 15.236 ± 0.005 Å
• c: 31.642 ± 0.012 Å
• α: 95.91 ± 0.03°
• β: 99.87 ± 0.02°
• γ: 108.389 ± 0.017°
• Cell volume: 5276 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.1235
• Residual factor for significantly intense reflections: 0.1114
• Weighted residual factors for significantly intense reflections: 0.2891
• Weighted residual factors for all reflections included in the refinement: 0.3061
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No