Information card for entry 8106363

Structure parameters

• Formula: C32 H28 Mn N4 O5
• Calculated formula: C32 H28 Mn N4 O5
• Title of publication: Crystal structure of catena-poly[(μ2-5-(tert-butyl)isophthalato-κ4 O,O′:O′′,O′′′)(-4′-(pyridin-4-yl)-2,2′:6′,2′′-terpyridine-κ3 N,N′,N′′)manganese(II)], C32H28N4O5Mn
• Authors of publication: Wang, Yu-Fang; Wei, Jing-Jing; Zhai, Xiao-Hui
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 5
• Pages of publication: 961 - 963
• a: 8.777 ± 0.003 Å
• b: 30.975 ± 0.011 Å
• c: 10.229 ± 0.004 Å
• α: 90°
• β: 105.412 ± 0.007°
• γ: 90°
• Cell volume: 2680.9 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No