Information card for entry 2232144

Structure parameters

• Chemical name: Poly[[(μ-benzene-1,4-dicarboxylato)bis[μ-4-(1<i>H</i>-1,3,7,8- tetraazacyclopenta[<i>l</i>]phenanthren-2-yl)benzoato]dizinc] tetrahydrate]
• Formula: C48 H34 N8 O12 Zn2
• Calculated formula: C48 H26 N8 O12 Zn2
• Title of publication: Poly[[(μ-benzene-1,4-dicarboxylato)bis[μ-4-(1<i>H</i>-1,3,7,8-tetraazacyclopenta[<i>l</i>]phenanthren-2-yl)benzoato]dizinc] tetrahydrate]
• Authors of publication: Wang, Chun-Jie; Wang, Qian-Qian; Xu, Xiang-Jun; Liu, Chun-Bo; Che, Guang-Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1493 - m1494
• a: 9.7477 ± 0.0016 Å
• b: 10.261 ± 0.0018 Å
• c: 11.048 ± 0.0019 Å
• α: 88.849 ± 0.003°
• β: 72.115 ± 0.004°
• γ: 83.121 ± 0.003°
• Cell volume: 1043.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0801
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes