Information card for entry 7707169

Structure parameters

• Chemical name: TbPCF
• Formula: C96 H90 N4 O49 P6 Tb7
• Calculated formula: C98.0012 H88.798 N4 O47.8004 P6 Tb6.5
• Title of publication: Multimetal lanthanide phosphonocarboxylate frameworks: structures, colour tuning and near-infrared emission.
• Authors of publication: Jing, Huiru; Dan, Wenyan; Zhu, Jiaxing; Ling, Yun; Jia, Yu; Yang, Yongtai; Liu, Xiaofeng; Chen, Zhenxia; Zhou, Yaming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 21
• Pages of publication: 7380 - 7387
• a: 14.4585 ± 0.0004 Å
• b: 20.3696 ± 0.0006 Å
• c: 22.7805 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6709.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1531
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: Helios Multi--layer Optic
• Diffraction radiation wavelength: 1.34139 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No