Information card for entry 1565452

Structure parameters

• Formula: C120 H140 B8 F32 Fe4 N48 O4
• Calculated formula: C120 H96 B8 F32 Fe4 N48 O4
• SMILES: [B](F)(F)(F)[F-].[B](F)(F)(F)[F-].c1[n]2c(c(C)[nH]1)C=[N]1c3ccc([N]4=Cc5[n](c[nH]c5C)[Fe]5674[n]4c[nH]c(C)c4C=[N]5c4ccc([N]5=Cc8[n](c[nH]c8C)[Fe]89%105[n]5c[nH]c(C)c5C=[N]8c5ccc([N]8=Cc%11[n](c[nH]c%11C)[Fe]%11%128([n]8c[nH]c(C)c8C=[N]%11c8ccc([N]%11=Cc%13[n](c[nH]c%13C)[Fe]%1321%11[n]1c[nH]c(C)c1C=[N]%13c1ccc([N]%10=Cc2c([nH]c[n]92)C)cc1)cc8)[n]1c[nH]c(C)c1C=[N]%12c1ccc([N]7=Cc2c([nH]c[n]62)C)cc1)cc5)cc4)cc3.O.C(#N)C.CC#N.CC#N.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].O.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].C(#N)C.CC#N.CC#N.O.O.C(#N)C.C(#N)C.CC#N.CC#N.CC#N.CC#N
• Title of publication: Synthesis and magnetic properties of tetrahedral tetranuclear iron(II) complexes with bis(bidentate)-type Schiff bases containing imidazole groups
• Authors of publication: Tanaka, Tsubasa; Sunatsuki, Yukinari; Suzuki, Takayoshi
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 502
• Pages of publication: 119373
• a: 28.627 ± 0.004 Å
• b: 28.627 ± 0.004 Å
• c: 18.807 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15412 ± 4 ų
• Cell temperature: 112 K
• Ambient diffraction temperature: 112 K
• Number of distinct elements: 7
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1022
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.2202
• Weighted residual factors for all reflections included in the refinement: 0.242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No