Information card for entry 4111912

Structure parameters

• Common name: [Ni4(bptz)4(CH3CN)4(H2O)4][ClO4][IO4]7ψ3CH3CN
• Formula: C62 H61 Cl I7 N31 Ni4 O36
• Calculated formula: C62 H61 Cl I7 N31 Ni4 O36
• 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: 20.358 ± 0.004 Å
• b: 17.493 ± 0.004 Å
• c: 28.123 ± 0.006 Å
• α: 90°
• β: 98.53 ± 0.03°
• γ: 90°
• Cell volume: 9904 ± 4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1922
• Residual factor for significantly intense reflections: 0.1087
• Weighted residual factors for significantly intense reflections: 0.2804
• Weighted residual factors for all reflections included in the refinement: 0.3453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No