Information card for entry 4111916

Structure parameters

• Common name: [Ni2(bptz)(CH3CN)8][ClO4]4
• Formula: C28 H32 Cl4 N14 Ni2 O16
• Calculated formula: C28 H32 Cl4 N14 Ni2 O16
• Title of publication: Anion Template Effect on the Self-Assembly and Interconversion of Metallacyclophanes
• Authors of publication: Cristian Saul Campos-Fernández; Brandi L. Schottel; Helen T. Chifotides; Jitendra K. Bera; John Bacsa; John M. Koomen; David H. Russell; Kim R. Dunbar
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 12909 - 12923
• a: 8.639 ± 0.005 Å
• b: 10.856 ± 0.005 Å
• c: 12.362 ± 0.005 Å
• α: 98.355 ± 0.005°
• β: 104.675 ± 0.005°
• γ: 97.317 ± 0.005°
• Cell volume: 1093.2 ± 0.9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1285
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1785
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No