Information card for entry 7002697

Structure parameters

• Formula: C64 H60 Fe2 Mn N12 O8
• Calculated formula: C64 H60 Fe2 Mn N12 O8
• SMILES: C(#[N][Mn]12([n]3cccc4c3c3[n]1cccc3cc4)([N]#C[Fe]134(C#N)[N](=Cc5c(cccc5)O3)CC[N]1=Cc1ccccc1O4)[n]1cccc3c1c1[n]2cccc1cc3)[Fe]123(C#N)[N](=Cc4c(cccc4)O2)CC[N]1=Cc1c(O3)cccc1.OC.OC.OC.OC
• Title of publication: Synthesis, structure, and magnetic properties of cyanide-bridged low-dimensional heterometallic Fe^III^‒Mn^II^ complexes
• Authors of publication: Zhang, Daopeng; Wang, Hailong; Chen, Yuting; Zhang, Lifang; Tian, Laijin; Ni, Zhong-Hai; Jiang, Jianzhuang
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 43
• Pages of publication: 9418 - 9425
• a: 23.8689 ± 0.0018 Å
• b: 13.9731 ± 0.0008 Å
• c: 18.238 ± 0.0011 Å
• α: 90°
• β: 97.358 ± 0.004°
• γ: 90°
• Cell volume: 6032.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0666
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1408
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No