Information card for entry 7713361

Structure parameters

• Formula: C130 H114 Gd6 N6 O34 P9
• Calculated formula: C130 H114 Gd6 N6 O34 P9
• Title of publication: Octahedral lanthanide clusters containing a central PO43- anion: structures, luminescent, magnetic and relaxometric properties
• Authors of publication: Qu, Yi-Ping; Huang, Xin-Da; Xu, Kui; Bao, Song-Song; Zheng, Li-Min
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 15.2645 ± 0.0007 Å
• b: 15.4068 ± 0.0007 Å
• c: 29.8145 ± 0.0013 Å
• α: 86.674 ± 0.002°
• β: 76.792 ± 0.002°
• γ: 89.442 ± 0.002°
• Cell volume: 6814.7 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0718
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No