Information card for entry 7057689

Structure parameters

• Formula: C76 H64 Br4 Mn2 N12 O8 Ru2
• Calculated formula: C76 H64 Br4 Mn2 N12 O8 Ru2
• Title of publication: Synthesis, structures and magnetic properties of heterobimetallic RuIII‒3d (3d = Mn, Ni) compounds based on the chiral RuIII building block
• Authors of publication: Ru, Jing; Zhang, Ru-Fen; Shi, Yang; Zhang, Shao-Liang; Li, Qian-Li; Ma, Chun-Lin
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 19
• Pages of publication: 16237
• a: 13.8448 ± 0.0014 Å
• b: 18.4145 ± 0.0018 Å
• c: 20.354 ± 0.002 Å
• α: 63.131 ± 0.002°
• β: 85.456 ± 0.002°
• γ: 76.817 ± 0.002°
• Cell volume: 4505.3 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No