Information card for entry 7052176

Structure parameters

• Formula: C79 H80.5 Ba2 Cl8 N15.5 O45 S4 Zn2
• Calculated formula: C79 H78.5 Ba2 Cl8 N15.5 O45 S4 Zn2
• Title of publication: Electrostatic control of the formation of heteroleptic transition metal helicates
• Authors of publication: Baylies, Christian J.; Harding, Lindsay P.; Jeffery, John C.; Moon, Ryan; Rice, Craig R.; Riis-Johannessen, T.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2007
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 1525
• a: 16.9511 ± 0.0003 Å
• b: 18.4571 ± 0.0003 Å
• c: 20.1644 ± 0.0004 Å
• α: 108.458 ± 0.001°
• β: 103.302 ± 0.001°
• γ: 110.497 ± 0.001°
• Cell volume: 5176.27 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No