Information card for entry 7116267

Structure parameters

• Formula: C92 H80 B2 F48 O7 Zn2
• Calculated formula: C92 H80 B2 F48 O7 Zn2
• Title of publication: A solvated zinc analogue of the calomel-dication.
• Authors of publication: Banh, Hung; Gemel, Christian; Seidel, Rüdiger W; Fischer, Roland A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 11
• Pages of publication: 2170 - 2172
• a: 12.6592 ± 0.0005 Å
• b: 14.0662 ± 0.0005 Å
• c: 14.2052 ± 0.0005 Å
• α: 77.951 ± 0.003°
• β: 88.733 ± 0.003°
• γ: 85.817 ± 0.003°
• Cell volume: 2467.1 ± 0.16 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No