Information card for entry 4107238

Structure parameters

• Formula: C72 H164 Cu6 I2 K8 N8 O20
• Calculated formula: C71.94 H163.86 Cu6 I1.99 K8 N7.98 O19.98
• Title of publication: Direct Cupration of Fluoroform
• Authors of publication: Alessandro Zanardi; Maxim A. Novikov; Eddy Martin; Jordi Benet-Buchholz; Vladimir V. Grushin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 20901 - 20913
• a: 17.754 ± 0.002 Å
• b: 17.754 ± 0.002 Å
• c: 62.184 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 16975 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No