Information card for entry 7032648

Structure parameters

• Chemical name: 3b
• Formula: C90 H120 B20 F12 N8 O24 Rh4 S4
• Calculated formula: C88 H108 B20 F12 N8 O20 Rh4 S4
• Title of publication: Construction of iridium and rhodium cyclometalated macrocycles based on p-carborane and N,N'-donor bridging ligands.
• Authors of publication: Shen, Xu-Yu; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 45
• Pages of publication: 17200 - 17208
• a: 18.5981 ± 0.0019 Å
• b: 40.947 ± 0.005 Å
• c: 16.9617 ± 0.0018 Å
• α: 90°
• β: 104.947 ± 0.002°
• γ: 90°
• Cell volume: 12480 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1184
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.2488
• Weighted residual factors for all reflections included in the refinement: 0.2797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No