Information card for entry 4130695

Structure parameters

• Formula: C65.71 H62.97 I6.03 N12 O4.1 Zn3
• Calculated formula: C65.714 H62.98 I6.0277 N12 O4.101 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: 35.0615 ± 0.0011 Å
• b: 14.9665 ± 0.0003 Å
• c: 30.3099 ± 0.0007 Å
• α: 90°
• β: 101.487 ± 0.002°
• γ: 90°
• Cell volume: 15586.5 ± 0.7 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: 0.0743
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1585
• Weighted residual factors for all reflections included in the refinement: 0.1719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No