Information card for entry 7045243

Structure parameters

• Formula: C154 H192 Cl4 Cu4 F12 N4 O45 Rh4 S4
• Calculated formula: C150.667 H170.667 Cl4 Cu4 F8 N4 O37 Rh4 S2.66667
• Title of publication: Host-guest capability of a three-dimensional heterometallic macrocycle.
• Authors of publication: Fan, Qi-Jia; Lin, Yue-Jian; Hahn, F. Ekkehardt; Jin, Guo-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 7
• Pages of publication: 2240 - 2246
• a: 18.9815 ± 0.0009 Å
• b: 23.9885 ± 0.0011 Å
• c: 34.8027 ± 0.0016 Å
• α: 80.7437 ± 0.0017°
• β: 85.6454 ± 0.0017°
• γ: 70.2326 ± 0.0017°
• Cell volume: 14715 ± 1.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1631
• Residual factor for significantly intense reflections: 0.1306
• Weighted residual factors for significantly intense reflections: 0.3776
• Weighted residual factors for all reflections included in the refinement: 0.411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.445
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No