Information card for entry 4346592

Structure parameters

• Formula: C112 H9.33 F48
• Calculated formula: C112 F48
• Title of publication: New Isolated-Pentagon-Rule Isomer of C92 Isolated as Trifluoromethyl and Chlorido Derivatives: C92(38)(CF3)14/16 and C92(38)Cl20/22.
• Authors of publication: Tamm, Nadezhda B.; Troyanov, Sergey I.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 22
• Pages of publication: 10527 - 10529
• a: 14.455 ± 0.001 Å
• b: 15.67 ± 0.001 Å
• c: 21.929 ± 0.002 Å
• α: 102.148 ± 0.006°
• β: 92.521 ± 0.01°
• γ: 116.689 ± 0.01°
• Cell volume: 4283.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3093
• Residual factor for significantly intense reflections: 0.0937
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.1796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.87313 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No