Information card for entry 7061255

Structure parameters

• Formula: C103 H116 F18 Fe2 N6 O P7 Ru
• Calculated formula: C103 H116 F18 Fe2 N6 O P7 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: 13.0216 ± 0.0017 Å
• b: 32.214 ± 0.005 Å
• c: 27.028 ± 0.004 Å
• α: 90°
• β: 98.184 ± 0.003°
• γ: 90°
• Cell volume: 11222 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1782
• Weighted residual factors for all reflections included in the refinement: 0.1886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No