Information card for entry 7052175

Structure parameters

• Formula: C78 H78 Cl4 N15 O28.5 S4 Zn2
• Calculated formula: C78 H77 Cl4 N15 O28.5 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: 13.641 ± 0.003 Å
• b: 17.738 ± 0.004 Å
• c: 18.898 ± 0.004 Å
• α: 75.86 ± 0.03°
• β: 82.89 ± 0.03°
• γ: 84.78 ± 0.03°
• Cell volume: 4391.2 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1106
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No