Information card for entry 7207126

Structure parameters

• Formula: C55 H49 F18 N4 O12 Pr
• Calculated formula: C55 H49 F18 N4 O12 Pr
• Title of publication: Linear chain and mononuclear tri-spin compounds based on the lanthanide-nitronyl nitroxide radicals: structural design and magnetic properties
• Authors of publication: Wang, Ya-Li; Zhou, Na; Ma, Yue; Qin, Zi-Xuan; Wang, Qing-Lun; Li, Li-Cun; Cheng, Peng; Liao, Dai-Zheng
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 235
• a: 12.421 ± 0.003 Å
• b: 15.856 ± 0.003 Å
• c: 18.21 ± 0.004 Å
• α: 69.13 ± 0.03°
• β: 73.1 ± 0.03°
• γ: 89.59 ± 0.03°
• Cell volume: 3187.7 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1007
• Residual factor for significantly intense reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.2258
• Weighted residual factors for all reflections included in the refinement: 0.24
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No