Information card for entry 4130696

Structure parameters

• Formula: C52.6 H59.36 I6.02 N12 O2.55 Zn3
• Calculated formula: C52.62 H59.392 I6.019 N12 O2.555 Zn3
• Title of publication: X-ray Structure Analysis of Ozonides by the Crystalline Sponge Method.
• Authors of publication: Yoshioka, Shota; Inokuma, Yasuhide; Duplan, Vincent; Dubey, Ritesh; Fujita, Makoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 32
• Pages of publication: 10140 - 10142
• a: 34.44 ± 0.002 Å
• b: 14.9178 ± 0.0008 Å
• c: 29.894 ± 0.002 Å
• α: 90°
• β: 99.307 ± 0.006°
• γ: 90°
• Cell volume: 15156.4 ± 1.6 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• 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: 0.135
• Residual factor for significantly intense reflections: 0.0969
• Weighted residual factors for significantly intense reflections: 0.2784
• Weighted residual factors for all reflections included in the refinement: 0.3075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No