Information card for entry 7030400

Structure parameters

• Formula: C40 H46 Ag2 N4 O13
• Calculated formula: C40 H46 Ag2 N4 O13
• Title of publication: Simultaneous encapsulation of an infinite T4(0)A(0)6(0) water tape and discrete water hexamers in a hydrogen-bonded Ag(i) supramolecular framework.
• Authors of publication: Han, Lu-Lu; Hu, Tuo-Ping; Chen, Jiang-Shan; Li, Zhong-Hui; Wang, Xing-Po; Zhao, Ya-Qin; Li, Xiao-Yu; Sun, Di
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 23
• Pages of publication: 8774 - 8780
• a: 11.2602 ± 0.0008 Å
• b: 13.378 ± 0.001 Å
• c: 14.7418 ± 0.001 Å
• α: 90.379 ± 0.001°
• β: 102.681 ± 0.001°
• γ: 111.435 ± 0.001°
• Cell volume: 2007.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No