Information card for entry 2017856

Structure parameters

• Chemical name: Poly[diaquabis(μ~3~-hexamethylenetetramine)[μ~2~-2,2'-(piperazine-1,4- diyl)bis(ethanesulfonato)]disilver(I)]
• Formula: C20 H68 Ag2 N10 O20 S2
• Calculated formula: C20 H68 Ag2 N10 O20 S2
• Title of publication: Poly[diaquabis(μ~3~-hexamethylenetetramine)[μ~2~-2,2'-(piperazine-1,4-diyl)bis(ethanesulfonato)]disilver(I)]: a three-dimensional pillared-layer framework encapsulating a water chain of (H~2~O)~12~ clusters
• Authors of publication: Guo, Peng; Wang, Jing; Pan, Dao-cheng; Xu, Guo-Hai
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: m266 - m268
• a: 6.3902 ± 0.0003 Å
• b: 31.1619 ± 0.0014 Å
• c: 10.5428 ± 0.0005 Å
• α: 90°
• β: 93.77 ± 0.001°
• γ: 90°
• Cell volume: 2094.85 ± 0.17 ų
• Cell temperature: 165 ± 2 K
• Ambient diffraction temperature: 165 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No