Information card for entry 7005315

Structure parameters

• Formula: C116 H128 Cl5 Cu N20 O38 S4 Zn2
• Calculated formula: C116 H128 Cl5 Cu N20 O38 S4 Zn2
• Title of publication: Allosteric deprogramming of a trinuclear heterometallic helicate.
• Authors of publication: Riis-Johannessen, T; Harding, Lindsay P.; Jeffery, John C.; Moon, Ryan; Rice, Craig R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 16
• Pages of publication: 1577 - 1587
• a: 20.516 ± 0.004 Å
• b: 26.356 ± 0.005 Å
• c: 23.514 ± 0.005 Å
• α: 90°
• β: 93.22 ± 0.03°
• γ: 90°
• Cell volume: 12694 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1233
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.2023
• Weighted residual factors for all reflections included in the refinement: 0.2596
• Goodness-of-fit parameter for all reflections included in the refinement: 0.797
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No