Information card for entry 7125719

Structure parameters

• Formula: C18 H38 Ag4 I6 N4
• Calculated formula: C18 H38 Ag4 I6 N4
• Title of publication: Multi-step structural phase transitions with novel symmetry breaking and inverse symmetry breaking characteristics in a [Ag₄I₆]^2- cluster hybrid crystal.
• Authors of publication: Zhang, Jin; Yao, Wan-Wan; Sang, Lei; Pan, Xue-Wei; Wang, Xiao-Zu; Liu, Wen-Long; Wang, Lifeng; Ren, Xiao-Ming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 462 - 465
• a: 14.9129 ± 0.0005 Å
• b: 14.9759 ± 0.0006 Å
• c: 15.1499 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3383.5 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No