Information card for entry 4333043

Structure parameters

• Formula: C36 H40 N4 Nd2 O20 P2 S2
• Calculated formula: C36 H24 N4 Nd2 O20.5 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: 12.2591 ± 0.0001 Å
• b: 14.4243 ± 0.0002 Å
• c: 15.5038 ± 0.0001 Å
• α: 112.633 ± 0.001°
• β: 107.991 ± 0.001°
• γ: 98.39 ± 0.001°
• Cell volume: 2294.59 ± 0.05 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: 0.0693
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No