Information card for entry 7115085

Structure parameters

• Formula: C20 H20 Cu0.73 N5 O5
• Calculated formula: C14.8485 Cu1.45455 O6.78788
• Title of publication: Nanoballs: nanoscale faceted polyhedra with large windows and cavities
• Authors of publication: Moulton, Brian; Lu, Jianjiang; Mondal, Arunendu; Zaworotko, Michael J.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 9
• Pages of publication: 863
• a: 33.933 ± 0.007 Å
• b: 36.925 ± 0.008 Å
• c: 29.577 ± 0.006 Å
• α: 90°
• β: 93.46 ± 0.003°
• γ: 90°
• Cell volume: 36992 ± 13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.3056
• Residual factor for significantly intense reflections: 0.1353
• Weighted residual factors for significantly intense reflections: 0.3382
• Weighted residual factors for all reflections included in the refinement: 0.4226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No