Information card for entry 4309090

Structure parameters

• Formula: C88 H58 Fe2 Mn2 N26 O5
• Calculated formula: C88 H58 Fe2 Mn2 N26 O5
• SMILES: C(#N)[Fe]123([n]4c(C(=O)N1c1c(N2C(=O)c2cccc[n]32)cccc1)cccc4)C#N.[n]12cccc3ccc4ccc[n](c4c13)[Mn]132([n]2cccc4ccc5ccc[n]1c5c24)[N](=N#N)[Mn]12([N]3=N#N)([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13.O.C(#N)[Fe]123(C#N)[n]4c(C(=O)N1c1c(N2C(=O)c2cccc[n]32)cccc1)cccc4
• Title of publication: Assembly of Azido- or Cyano-Bridged Binuclear Complexes Containing the Bulky [Mn(phen)2]2+ Building Block: Syntheses, Crystal Structures, and Magnetic Properties
• Authors of publication: Zhong-Hai Ni; Hui-Zhong Kou; Lei Zheng; Yi-Hua Zhao; Li-Fang Zhang; Ru-Ji Wang; Ai-Li Cui; Osamu Sato
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 4728 - 4736
• a: 14.605 ± 0.003 Å
• b: 10.919 ± 0.002 Å
• c: 26.367 ± 0.005 Å
• α: 90°
• β: 94.89 ± 0.03°
• γ: 90°
• Cell volume: 4189.5 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.1884
• Weighted residual factors for all reflections included in the refinement: 0.1956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No