Information card for entry 1572290

Structure parameters

• Chemical name: Mn4_tpon2
• Formula: C136 H162 B2 Mn4 N12 O15
• Calculated formula: C136 H162 B2 Mn4 N12 O15
• Title of publication: Crystal Structures, Magnetic Properties, and Redox Behaviors of Carboxylato-Bridged Mn(II) Complexes with Ditopic Ligands Featuring N3-Coordination Sites
• Authors of publication: Sugiyama, Junya; Umemoto, Yusuke; Sato, Sota; Yoneda, Ko; Koikawa, Masayuki
• Journal of publication: Chemistry
• Year of publication: 2024
• Journal volume: 6
• Journal issue: 4
• Pages of publication: 601 - 617
• a: 9.257 ± 0.002 Å
• b: 18.174 ± 0.004 Å
• c: 19.196 ± 0.004 Å
• α: 99.904 ± 0.003°
• β: 101.628 ± 0.004°
• γ: 96.449 ± 0.004°
• Cell volume: 3079.7 ± 1.1 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No