Information card for entry 2218732

Structure parameters

• Chemical name: (5,5'-Dicarboxybiphenyl-2,2'-dicarboxylato-κ^2^O^2^,O^2'^)bis(1,10- phenanthroline-κ^2^N,N')zinc(II) dihydrate
• Formula: C40 H28 N4 O10 Zn
• Calculated formula: C40 H28 N4 O10 Zn
• SMILES: c1ccc2ccc3ccc[n]4c3c2[n]1[Zn]124(OC(=O)c3c(c4c(C(=O)O2)ccc(c4)C(=O)O)cc(cc3)C(=O)O)[n]2cccc3ccc4ccc[n]1c4c23.O.O
• Title of publication: (5,5'-Dicarboxybiphenyl-2,2'-dicarboxylato-κ^2^<i>O</i>^2^,<i>O</i>^2'^)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II) dihydrate
• Authors of publication: Chen, Rui-Zhan; Guo, Fei-Jun; Meng, Fan-Lei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m855
• a: 16.901 ± 0.005 Å
• b: 9.473 ± 0.003 Å
• c: 22.126 ± 0.007 Å
• α: 90°
• β: 96.429 ± 0.005°
• γ: 90°
• Cell volume: 3520.2 ± 1.9 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: 0.0908
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes