Information card for entry 7114113

Structure parameters

• Formula: C224 H240 B Br4 O32 R4 Rh4
• Calculated formula: C112 H117 Br4 O16 Rh2
• Title of publication: Calixarenes as ligands for transition-metal catalysts: a bis(calix[4]arene-11,23-dicarboxylato) dirhodium complex
• Authors of publication: Seitz, Jürgen; Maas, Gerhard
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 4
• Pages of publication: 338
• a: 12.801 ± 0.002 Å
• b: 16.916 ± 0.003 Å
• c: 25.08 ± 0.005 Å
• α: 72.15 ± 0.02°
• β: 87.38 ± 0.02°
• γ: 85.48 ± 0.02°
• Cell volume: 5152 ± 1.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.1037
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No