Information card for entry 7045371

Structure parameters

• Formula: C108 H118 F12 N4 O25 Rh4 S4
• Calculated formula: C104 H100 F9 N4 O18 Rh4 S3
• Title of publication: Light-initiated reversible conversion of macrocyclic endoperoxides derived from half-sandwich rhodium-based metallarectangles.
• Authors of publication: Shan, Wei-Long; Gao, Wen-Xi; Lin, Yue-Jian; Jin, Guo-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 8
• Pages of publication: 2769 - 2777
• a: 17.0567 ± 0.0006 Å
• b: 17.0598 ± 0.0007 Å
• c: 22.6028 ± 0.0008 Å
• α: 105.945 ± 0.0019°
• β: 111.776 ± 0.0016°
• γ: 94.6228 ± 0.0018°
• Cell volume: 5748.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0947
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.2286
• Weighted residual factors for all reflections included in the refinement: 0.2406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No