Information card for entry 7116268

Structure parameters

• Formula: C76 H60 B2 F48 P4 Zn
• Calculated formula: C76 H60 B2 F48 P4 Zn
• 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: 13.0001 ± 0.0004 Å
• b: 13.4282 ± 0.0004 Å
• c: 14.1449 ± 0.0005 Å
• α: 102.57 ± 0.003°
• β: 115.154 ± 0.003°
• γ: 91.67 ± 0.003°
• Cell volume: 2160.73 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No