Information card for entry 7216169

Structure parameters

• Formula: C45 H29 N8 O6 Tb
• Calculated formula: C45 H29 N8 O6 Tb
• Title of publication: Luminescent lanthanide-2-phenylpyrimidine-carboxylate frameworks: structure and luminescence tuning
• Authors of publication: Jia, Li; Hui, Yan-Chun; Li, Zongsheng; Sun, Hao-Ling; Wang, Zhenqiang
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 28
• Pages of publication: 6483
• a: 10.09 ± 0.001 Å
• b: 14.133 ± 0.001 Å
• c: 15.143 ± 0.001 Å
• α: 70.273 ± 0.001°
• β: 71.654 ± 0.001°
• γ: 76.327 ± 0.001°
• Cell volume: 1908.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0445
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No