Information card for entry 7228693

Structure parameters

• Formula: C97 H144 Gd6 N6 O44
• Calculated formula: C90 H132 Gd6 N6 O42
• Title of publication: A series of six-member lanthanide-rings based on 2,2-bis(hydroxymethyl)-2,2’,2’’-nitrilotriethanol : synthesis, crystal structures and magnetic properties
• Authors of publication: li, bao; hu, peng; yin, lei; Mao, Nannan; Yu, Fan; Wang, Zhenxing; Zhang, Tianle
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 26.842 ± 0.004 Å
• b: 26.842 ± 0.004 Å
• c: 78.271 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 48838 ± 14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No