Information card for entry 7030183

Structure parameters

• Formula: C111.5 H111 F12 Fe2 N5 O3 P7 Ru
• Calculated formula: C111.5 H111 F12 Fe2 N5 O3 P7 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: 26.215 ± 0.013 Å
• b: 16.075 ± 0.007 Å
• c: 30.126 ± 0.02 Å
• α: 90°
• β: 116.403 ± 0.007°
• γ: 90°
• Cell volume: 11371 ± 11 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0908
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections: 0.181
• Weighted residual factors for significantly intense reflections: 0.1724
• Goodness-of-fit parameter for all reflections: 1.085
• Goodness-of-fit parameter for significantly intense reflections: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No