Information card for entry 1567003

Structure parameters

• Formula: C31 H22 B Cu F18 N6
• Calculated formula: C31 H22 B Cu F18 N6
• Title of publication: Isolable acetylene complexes of copper and silver
• Authors of publication: Noonikara-Poyil, Anurag; Ridlen, Shawn G.; Fernández, Israel; Dias, H. V. Rasika
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 24
• Pages of publication: 7190 - 7203
• a: 11.064 ± 0.0005 Å
• b: 13.6074 ± 0.0006 Å
• c: 11.4278 ± 0.0005 Å
• α: 90°
• β: 91.989 ± 0.002°
• γ: 90°
• Cell volume: 1719.44 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No