Information card for entry 4134694

Structure parameters

• Formula: C136 H94 Mn4 N32 O18
• Calculated formula: C136 H94 Mn4 N32 O18
• Title of publication: Subcomponent Self-Assembly of Covalent Metallacycles Templated by Catalytically Active Seven-Coordinate Transition Metal Centers.
• Authors of publication: Li, Zhi-Wei; Wang, Xin; Wei, Lian-Qiang; Ivanović-Burmazović, Ivana; Liu, Gao-Feng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 16
• Pages of publication: 7283 - 7288
• a: 10.8346 ± 0.0004 Å
• b: 16.7939 ± 0.0006 Å
• c: 19.7458 ± 0.0007 Å
• α: 107.577 ± 0.002°
• β: 92.476 ± 0.002°
• γ: 97.574 ± 0.002°
• Cell volume: 3382.1 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.02 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.126
• Residual factor for significantly intense reflections: 0.0817
• Weighted residual factors for significantly intense reflections: 0.2608
• Weighted residual factors for all reflections included in the refinement: 0.2928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No