Information card for entry 7713359

Structure parameters

• Formula: C130 H114 N6 Nd6 O34 P9
• Calculated formula: C130 H114 N6 Nd6 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: 15.409 ± 0.004 Å
• b: 15.452 ± 0.004 Å
• c: 30.223 ± 0.008 Å
• α: 86.93 ± 0.009°
• β: 76.805 ± 0.009°
• γ: 89.921 ± 0.008°
• Cell volume: 6996 ± 3 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: 0.0674
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No