Information card for entry 7017779

Structure parameters

• Formula: C28 H130 K5 N4 Na6 O185 P5 Pr4 W30
• Calculated formula: C28 H12 K5 N4 Na6 O171 P5 Pr4 W30
• Title of publication: New class of Preyssler-lanthanide complexes with modified and extended structures tuned by the lanthanide contraction effect.
• Authors of publication: Qin, Chao; Song, Xue-Zhi; Su, Sheng-Qun; Dang, Song; Feng, Jing; Song, Shu-Yan; Hao, Zhao-Min; Zhang, Hong-Jie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 8
• Pages of publication: 2399 - 2407
• a: 22.909 ± 0.0013 Å
• b: 30.1561 ± 0.0016 Å
• c: 27.7203 ± 0.0016 Å
• α: 90°
• β: 111.637 ± 0.001°
• γ: 90°
• Cell volume: 17801.1 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No