Information card for entry 4333047

Structure parameters

• Formula: C18 H57 N4 Nd2 O30 P5 S
• Calculated formula: C18 H32 N4 Nd2 O30 P5 S
• 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: 14.303 ± 0.002 Å
• b: 18.7159 ± 0.0011 Å
• c: 17.0511 ± 0.0011 Å
• α: 90°
• β: 102.118 ± 0.002°
• γ: 90°
• Cell volume: 4462.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No