Information card for entry 1542860

Structure parameters

• Formula: C44 H40 Ag2 N12 O8
• Calculated formula: C44 H40 Ag2 N12 O8
• Title of publication: Structural disorder and transformation in crystal growth: direct observation of ring-opening isomerization in a metal‒organic solid solution
• Authors of publication: Jiang, Ji-Jun; He, Jian-Rong; Lü, Xing-Qiang; Wang, Da-Wei; Li, Guo-Bi; Su, Cheng-Yong
• Journal of publication: IUCrJ
• Year of publication: 2014
• Journal volume: 1
• Journal issue: 5
• Pages of publication: 318 - 327
• a: 12.6641 ± 0.0014 Å
• b: 26.23 ± 0.003 Å
• c: 35.269 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11716 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.1714
• Residual factor for significantly intense reflections: 0.1008
• Weighted residual factors for significantly intense reflections: 0.2135
• Weighted residual factors for all reflections included in the refinement: 0.2328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No