Information card for entry 7051049

Structure parameters

• Formula: C60 H60 N4
• Calculated formula: C60 H60 N4
• Title of publication: Design and structural analysis of interpenetrated 3-D co-ordination networks formed by self-assembly using tetrapyridinoocyclophane and silver cations
• Authors of publication: Cédric Klein; Ernest Graf; Mir Wais Hosseini; André De Cian
• Journal of publication: New J. Chem.
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 2
• Pages of publication: 207 - 209
• a: 15.669 ± 0.001 Å
• b: 15.669 ± 0.001 Å
• c: 11.4392 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2808.5 ± 0.3 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 3
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.15
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for all reflections: 0.302
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections: 2.938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No