Information card for entry 7116269

Structure parameters

• Formula: C110 H62 B2 Cl8 F48 N6 Zn2
• Calculated formula: C110 H62 B2 Cl8 F48 N6 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: 15.1012 ± 0.0005 Å
• b: 16.1231 ± 0.0005 Å
• c: 24.7275 ± 0.0007 Å
• α: 90°
• β: 102.147 ± 0.003°
• γ: 90°
• Cell volume: 5885.8 ± 0.3 ų
• Cell temperature: 116 ± 2 K
• Ambient diffraction temperature: 116 ± 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: 0.1149
• Residual factor for significantly intense reflections: 0.0951
• Weighted residual factors for significantly intense reflections: 0.2819
• Weighted residual factors for all reflections included in the refinement: 0.3105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No