Information card for entry 7125721

Structure parameters

• Formula: C18 H38 Ag4 I6 N4
• Calculated formula: C17.9998 H37.9986 Ag3.9996 I5.9994 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: 15.141 ± 0.0009 Å
• b: 15.141 ± 0.0009 Å
• c: 15.141 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3471.1 ± 0.4 ų
• Cell temperature: 408 K
• Ambient diffraction temperature: 408 K
• Number of distinct elements: 5
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.117
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No