Information card for entry 1566021

Structure parameters

• Formula: C20 H24 Br2 Co N4 O2
• Calculated formula: C20 H24 Br2 Co N4 O2
• SMILES: c1(ccccc1C1=[NH+]CCCN1)O[Co](Br)(Oc1ccccc1C1=[NH+]CCCN1)Br
• Title of publication: Field-induced single-ion magnet behaviors in 1-dimensionally assembled tetrahedral cobalt(II) complexes with halide donors
• Authors of publication: Mitsuhashi, Ryoji; Hosoya, Satoshi; Sunatsuki, Yukinari; Suzuki, Takayoshi; Mikuriya, Masahiro
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2022
• Journal volume: 529
• Pages of publication: 120667
• a: 14.659 ± 0.002 Å
• b: 9.0379 ± 0.0015 Å
• c: 8.452 ± 0.0014 Å
• α: 90°
• β: 112.93 ± 0.002°
• γ: 90°
• Cell volume: 1031.3 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No