Information card for entry 7061257

Structure parameters

• Formula: C117 H140 F24 Fe2 N10 O3 P8 Ru
• Calculated formula: C100 H110 F24 Fe2 N6 P8 Ru
• Title of publication: Synthesis, structural and metal-to-metal charge transfer properties of cyanide-bridged compound [FeII/III-NC-RuII-CN-FeII/III]
• Authors of publication: Wang, Yong
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 8
• Pages of publication: 3978 - 3984
• a: 28.53 ± 0.006 Å
• b: 26.984 ± 0.005 Å
• c: 34.406 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 26488 ± 9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1038
• Residual factor for significantly intense reflections: 0.0841
• Weighted residual factors for significantly intense reflections: 0.2228
• Weighted residual factors for all reflections included in the refinement: 0.2445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No