Information card for entry 4111177

Structure parameters

• Common name: LZn2Ba(Et2O)(CHCl3)0.5(H2O)1.5
• Formula: C36.5 H45.5 Ba Cl1.5 N4 O16.5 Zn2
• Calculated formula: C36.5 H42.5 Ba Cl1.5 N4 O16.5 Zn2
• Title of publication: Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes
• Authors of publication: Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 15765 - 15774
• a: 13.1572 ± 0.0005 Å
• b: 13.8486 ± 0.0012 Å
• c: 15.78 ± 0.0009 Å
• α: 110.13 ± 0.003°
• β: 105.072 ± 0.003°
• γ: 106.476 ± 0.003°
• Cell volume: 2375.8 ± 0.3 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 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: 0.0871
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.1928
• Weighted residual factors for all reflections included in the refinement: 0.2014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No