Information card for entry 7034052

Structure parameters

• Formula: C46 H200 Cl18 Cu24 N18 O177 Pr6
• Calculated formula: C46 H122 Cl18 Cu24 N18 O177 Pr6
• Title of publication: Syntheses, structures, and properties of a series of novel high-nuclear 3d-4f clusters with mixed amino acids as ligands: {Ln6Cu24}(Ln = Gd, Tb, Pr and Sm).
• Authors of publication: Shen, Chao-Jun; Hu, Sheng-Min; Sheng, Tian-Lu; Xue, Zhen-Zhen; Wu, Xin-Tao
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 14
• Pages of publication: 6510 - 6515
• a: 18.793 ± 0.005 Å
• b: 19.154 ± 0.006 Å
• c: 19.17 ± 0.005 Å
• α: 118.791 ± 0.007°
• β: 95.852 ± 0.012°
• γ: 102.806 ± 0.016°
• Cell volume: 5718 ± 3 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: 0.1208
• Residual factor for significantly intense reflections: 0.0894
• Weighted residual factors for significantly intense reflections: 0.2239
• Weighted residual factors for all reflections included in the refinement: 0.2568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No