Information card for entry 7208080

Structure parameters

• Formula: C51 H45 Er F18 N4 O12
• Calculated formula: C51 H45 Er F18 N4 O12
• Title of publication: A family of lanthanide‒nitronyl nitroxide complexes: syntheses, crystal structures and magnetic properties
• Authors of publication: Wang, Ya-Li; Gao, Yuan-Yuan; Ma, Yue; Wang, Qing-Lun; Li, Li-Cun; Liao, Dai-Zheng
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 14
• Pages of publication: 4706
• a: 11.778 ± 0.002 Å
• b: 14.717 ± 0.003 Å
• c: 17.644 ± 0.003 Å
• α: 97.39 ± 0.03°
• β: 93.68 ± 0.03°
• γ: 107.89 ± 0.03°
• Cell volume: 2868.8 ± 1.1 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: 0.081
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No