Information card for entry 7707170

Structure parameters

• Chemical name: GdPCF
• Formula: C96 H76 Gd7 N4 O49 P6
• Calculated formula: C98.002 H70 Gd6.5 N4 O48 P6
• 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: 14.4962 ± 0.0006 Å
• b: 20.3758 ± 0.0008 Å
• c: 22.8688 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6754.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0789
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.1742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No