Information card for entry 2017765

Structure parameters

• Chemical name: Poly[aqua(μ~2~-benzene-1,4-dicarboxylato)(μ~2~-4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide)cadmium(II)]
• Formula: C18 H14 Cd N2 O7
• Calculated formula: C18 H14 Cd N2 O7
• Title of publication: Poly[aqua(μ~2~-benzene-1,4-dicarboxylato)(μ~2~-4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide)cadmium(II)], a threefold interpenetrating diamond net
• Authors of publication: Xu, Guohai; Xie, Yongrong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m201 - m203
• a: 14.1052 ± 0.0015 Å
• b: 16.8934 ± 0.0018 Å
• c: 8.8967 ± 0.001 Å
• α: 90°
• β: 127.451 ± 0.001°
• γ: 90°
• Cell volume: 1683 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0274
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes