Information card for entry 7045241

Structure parameters

• Formula: C172 H230 Cu6 F12 N10 O58 Rh4 S4
• Calculated formula: C158 H182 Cu6 F6 N10 O42 Rh4 S2
• 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: 16.731 ± 0.0004 Å
• b: 17.152 ± 0.0004 Å
• c: 22.1104 ± 0.0005 Å
• α: 96.2437 ± 0.0014°
• β: 111.747 ± 0.0013°
• γ: 109.098 ± 0.0013°
• Cell volume: 5374.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1032
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.2409
• Weighted residual factors for all reflections included in the refinement: 0.2557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No