Information card for entry 7034051

Structure parameters

• Formula: C42 H188 Cl18 Cu24 Gd6 N18 O175
• Calculated formula: C42 H114 Cl18 Cu24 Gd6 N18 O175
• 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: 18.2095 ± 0.0004 Å
• b: 18.3542 ± 0.0006 Å
• c: 19.668 Å
• α: 91.568 ± 0.009°
• β: 106.8 ± 0.007°
• γ: 119.442 ± 0.006°
• Cell volume: 5365.8 ± 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: 0.0919
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.2092
• Weighted residual factors for all reflections included in the refinement: 0.2307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No