Information card for entry 4336247

Structure parameters

• Formula: C84 H74 F12 Fe2 N6 O0 P6 Ru
• Calculated formula: C84 H74 F12 Fe2 N6 P6 Ru
• SMILES: [P](F)(F)(F)(F)(F)[F-].[n]12ccccc1c1[n](cccc1)[Ru]12(C#[N][Fe]23456([P](c7ccccc7)(c7ccccc7)CC[P]6(c6ccccc6)c6ccccc6)[cH]6[cH]2[cH]3[cH]4[cH]56)(C#[N][Fe]23456([cH]7[cH]2[cH]3[cH]4[cH]57)[P](c2ccccc2)(c2ccccc2)CC[P]6(c2ccccc2)c2ccccc2)[n]2ccccc2c2[n]1cccc2.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: From Antiferromagnetic to Ferromagnetic Interaction in Cyanido-Bridged Fe(III)-Ru(II)-Fe(III) Complexes by Change of the Central Diamagnetic Cyanido-Metal Geometry
• Authors of publication: Xiao Ma; Sheng-Min Hu; Chun-Hong Tan; Yong-Fan Zhang; Xu-Dong Zhang; Tian-Lu Sheng; Xin-Tao Wu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11343 - 11350
• a: 19.325 ± 0.008 Å
• b: 15.251 ± 0.006 Å
• c: 27.224 ± 0.015 Å
• α: 90°
• β: 94.316 ± 0.01°
• γ: 90°
• Cell volume: 8001 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.114
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for significantly intense reflections: 0.2138
• Weighted residual factors for all reflections included in the refinement: 0.2399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No