Information card for entry 4333042

Structure parameters

• Formula: C60 H51 La2 N8 O17.5 P2 S2
• Calculated formula: C60 H40 La2 N8 O17.5 P2 S2
• Title of publication: Rational Design of 0D, 1D, and 3D Open Frameworks Based on Tetranuclear Lanthanide(III) Sulfonate−Phosphonate Clusters
• Authors of publication: Du, Zi-Yi; Xu, Hai-Bing; Mao, Jiang-Gao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 24
• Pages of publication: 9780 - 9788
• a: 14.5784 ± 0.0016 Å
• b: 14.8856 ± 0.0013 Å
• c: 16.3402 ± 0.0017 Å
• α: 93.572 ± 0.002°
• β: 111.018 ± 0.003°
• γ: 103.289 ± 0.004°
• Cell volume: 3180.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.1721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No