Information card for entry 7212833

Structure parameters

• Formula: C48 H36 Br2 N4 O2 Zn
• Calculated formula: C48 H36 Br2 N4 O2 Zn
• Title of publication: Diamondoid and square-grid networks based on bent wheel-and-axle diols
• Authors of publication: Bacchi, Alessia; Carcelli, Mauro; Chiodo, Tiziana; Pelagatti, Paolo
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 4226
• a: 19.589 ± 0.007 Å
• b: 19.589 ± 0.007 Å
• c: 5.149 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1975.8 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 77
• Hermann-Mauguin space group symbol: P 42
• Hall space group symbol: P 4c
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No