Information card for entry 7030185

Structure parameters

• Formula: C107 H94 F24 Fe2 N7 P9 Ru
• Calculated formula: C107 H94 F24 Fe2 N7 P9 Ru
• Title of publication: A cyanide-bridged trinuclear Fe(II)-Ru(II)-Fe(II) complex with three stable states: synthesis, crystal structures, electronic couplings and magnetic properties.
• Authors of publication: Ma, Xiao; Hu, Sheng-Min; Tan, Chun-Hong; Wen, Yue-Hong; Zhu, Qi-Long; Shen, Chao-Jun; Sheng, Tian-Lu; Wu, Xin-Tao
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 39
• Pages of publication: 12163 - 12169
• a: 13.917 ± 0.005 Å
• b: 15.659 ± 0.005 Å
• c: 26.716 ± 0.01 Å
• α: 89.678 ± 0.011°
• β: 81.927 ± 0.008°
• γ: 76.474 ± 0.008°
• Cell volume: 5602 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1006
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections: 0.1852
• Weighted residual factors for significantly intense reflections: 0.1632
• Goodness-of-fit parameter for all reflections: 1.085
• Goodness-of-fit parameter for significantly intense reflections: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No