Information card for entry 7024358

Structure parameters

• Formula: C27 H31 B2 Cl2 Cu F8 N16
• Calculated formula: C27 H31 B2 Cl2 Cu F8 N16
• Title of publication: Experimental and computational study of the interplay between C-H/pi and anion-pi interactions.
• Authors of publication: Quiñonero, David; Deyà, Pere M; Carranza, M. Pilar; Rodríguez, Ana M; Jalón, Félix A; Manzano, Blanca R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 3
• Pages of publication: 794 - 806
• a: 9.935 ± 0.007 Å
• b: 23.844 ± 0.005 Å
• c: 16.316 ± 0.008 Å
• α: 90°
• β: 90.338 ± 0.001°
• γ: 90°
• Cell volume: 3865 ± 3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1457
• Residual factor for significantly intense reflections: 0.0831
• Weighted residual factors for significantly intense reflections: 0.2075
• Weighted residual factors for all reflections included in the refinement: 0.2454
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No