Information card for entry 2015946

Structure parameters

• Chemical name: bis(tetraaquasodium) 1,5-dihydroxy-4,8,9-trioxa-2,6-diazabicyclo[3.3.1]nona-2,6-diene-3,7-diolate
• Formula: C4 H18 N2 Na2 O15
• Title of publication: A novel heterocyclic compound: <i>catena</i>-poly[[[diaquasodium(I)]-di-μ-aqua] hemi(1,5-dihydroxy-4,8,9-trioxa-2,6-diazabicyclo[3.3.1]nona-2,6-diene-3,7-diolate)]
• Authors of publication: Fang, Rui-Qin; Xiao, Zhu-Ping; Cao, Ping; Shi, Da-Hua; Zhu, Hai-Liang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m193 - m194
• a: 11.935 ± 0.007 Å
• b: 10.709 ± 0.006 Å
• c: 12.277 ± 0.007 Å
• α: 90°
• β: 106.634 ± 0.008°
• γ: 90°
• Cell volume: 1503.5 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.2174
• Weighted residual factors for all reflections included in the refinement: 0.2246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: No