Information card for entry 7054432

Structure parameters

• Formula: C55 H67.6 Fe Mn N8 O6.8
• Calculated formula: C55 H60 Fe Mn N8 O6.8
• Title of publication: Crystal structures and magneto-structural correlation analysis for several cyano-bridged bimetallic complexes based on MnIII‒FeIIIsystems
• Authors of publication: Zhou, Hongbo; Wang, Yingying; Mou, Fangyou; Shen, Xiaoping; Liu, Yashu
• Journal of publication: New J. Chem.
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 12
• Pages of publication: 5925
• a: 22.68 ± 0.005 Å
• b: 10.109 ± 0.002 Å
• c: 26.26 ± 0.005 Å
• α: 90°
• β: 99.76 ± 0.03°
• γ: 90°
• Cell volume: 5934 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1682
• Residual factor for significantly intense reflections: 0.131
• Weighted residual factors for significantly intense reflections: 0.2432
• Weighted residual factors for all reflections included in the refinement: 0.268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No