Information card for entry 7718753

Structure parameters

• Formula: C36 H32 Br F3 I3 Mn N4 O2
• Calculated formula: C36 H32 Br F3 I3 Mn N4 O2
• Title of publication: Halogen bond-enhanced spin dynamics: investigating co-crystallization effects on spin crossover in mononuclear Mn(III) Schiff-base complexes.
• Authors of publication: Zhao, Sheng-Ze; Chen, Li-Wen; Zhu, Hai; Zhang, Hao-Zhe; Liu, Chang; Qin, Chun-Yan; Wang, Hai-Ying; Li, Yong-Hua; Wang, Shi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 23
• Pages of publication: 9405 - 9417
• a: 40.712 ± 0.003 Å
• b: 15.1137 ± 0.0011 Å
• c: 26.766 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16469 ± 2 ų
• Cell temperature: 293.79 K
• Ambient diffraction temperature: 293.79 K
• Number of distinct elements: 8
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No