Information card for entry 4130697

Structure parameters

• Formula: C60.08 H52.04 I6 N12 O4.47 Zn3
• Calculated formula: C62.405 H53.761 I6 N12 O5.122 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: 34.8492 ± 0.0012 Å
• b: 14.8584 ± 0.0005 Å
• c: 31.0351 ± 0.001 Å
• α: 90°
• β: 101.858 ± 0.003°
• γ: 90°
• Cell volume: 15727.1 ± 0.9 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: 0.0792
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.2045
• Weighted residual factors for all reflections included in the refinement: 0.2142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No