Information card for entry 4311668

Structure parameters

• Common name: [(Ni(H2O)6)3]6+[[pyridine-N-oxide(p-sulfonatocalix[6]arene)0.5]2]6-.7H2O
• Formula: C52 H90 N2 Ni3 O51 S6
• Calculated formula: C52 H40 N2 Ni3 O51 S6
• Title of publication: Bilayers, Corrugated Bilayers, and Coordination Polymers of p-Sulfonatocalix[6]arene
• Authors of publication: Scott J. Dalgarno; Michaele J. Hardie; Jerry L. Atwood; Colin L. Raston
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6351 - 6356
• a: 12.3959 ± 0.0003 Å
• b: 17.6908 ± 0.0003 Å
• c: 20.1012 ± 0.0004 Å
• α: 66.239 ± 0.0001°
• β: 72.268 ± 0.0001°
• γ: 71.242 ± 0.0001°
• Cell volume: 3741.43 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0939
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1741
• Weighted residual factors for all reflections included in the refinement: 0.1956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No