Information card for entry 7717752

Structure parameters

• Formula: C49 H42 B2 F8 Fe N8 O7
• Calculated formula: C49 H42 B2 F8 Fe N8 O7
• Title of publication: A mononuclear iron(II) complex constructed using a complementary ligand pair exhibits intrinsic luminescence-spin-crossover coupling.
• Authors of publication: Chen, Du-Yong; Yi, Cheng; Li, Xin-Feng; Zhou, Ren-He; Zhang, Li-Yan; Cai, Rui; Meng, Yin-Shan; Liu, Tao
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 2908 - 2915
• a: 16.1807 ± 0.0009 Å
• b: 20.8095 ± 0.0012 Å
• c: 28.5096 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9599.5 ± 1 ų
• Cell temperature: 299.6 K
• Ambient diffraction temperature: 299.6 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No