Information card for entry 7054429

Structure parameters

• Formula: C37 H33 Fe Mn N9 O6
• Calculated formula: C37 H33 Fe Mn N9 O6
• 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: 11.985 ± 0.003 Å
• b: 14.249 ± 0.004 Å
• c: 22.419 ± 0.006 Å
• α: 90°
• β: 95.528 ± 0.004°
• γ: 90°
• Cell volume: 3810.8 ± 1.8 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: 0.1026
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No