Information card for entry 7030621

Structure parameters

• Formula: C19 H18 Fe K N4 O3
• Calculated formula: C19 H18 Fe K N4 O3
• SMILES: [Fe]123(Oc4c(C=[N]2CC[N]3=Cc2ccccc2O1)cccc4)(C#N)C#N.[K+].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: 12.38 ± 0.002 Å
• b: 7.6456 ± 0.0015 Å
• c: 21.151 ± 0.004 Å
• α: 90°
• β: 101.295 ± 0.005°
• γ: 90°
• Cell volume: 1963.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0397
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7002695
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No