Information card for entry 2218514

Structure parameters

• Chemical name: Poly[[diaqua[μ~4~-4,4'-carbonylbis(benzene-1,2- dicarboxylato)]bis(dipyrido[3,2-a:2',3'-c]phenazine)dicadmium(II)] monohydrate]
• Formula: C53 H32 Cd2 N8 O12
• Calculated formula: C53 H32 Cd2 N8 O12
• Title of publication: Poly[[diaqua[μ~4~-4,4'-carbonylbis(benzene-1,2-dicarboxylato)]bis(dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine)dicadmium(II)] monohydrate]
• Authors of publication: Yuan, Xiao-Huan; Zhang, Wen-Zhi; Chu, Yan-Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: m810 - m811
• a: 15.698 ± 0.003 Å
• b: 6.7028 ± 0.0013 Å
• c: 21.428 ± 0.004 Å
• α: 90°
• β: 102.45 ± 0.03°
• γ: 90°
• Cell volume: 2201.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes