Information card for entry 1557919

Structure parameters

• Common name: 1,4,8,11-Tetraazatricyclo[6.6.2.2(4,1)]octadecane
• Formula: C14 H33 Cl3 N4 O2 Zn
• Calculated formula: C14 Cl3 N4 O Ow Zn
• Title of publication: An Inert Proton Coordinated Inside a Nearly Tetrahedral Tetraamine Cavity. Synthesis and X-Ray Crystal Structure of the Aquatrichlorozincate(II) Salt of the Inside Monoprotonated Amine 1,4,8,11-Tetraazatricyclo[6.6.2.2(4,1)]octadecane
• Authors of publication: Springborg, Johan; Olsen, Carl Erik; Sotofte, Inger
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1995
• Journal volume: 49
• Pages of publication: 555 - 563
• a: 11.505 ± 0.004 Å
• b: 8.186 ± 0.004 Å
• c: 11.185 ± 0.006 Å
• α: 90°
• β: 105.87 ± 0.03°
• γ: 90°
• Cell volume: 1013.3 ± 0.8 ų
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No