Information card for entry 2210945

Structure parameters

• Chemical name: Di-μ-homophthalato-κ^3^O:O',O'';κ^3^O',O'':O-bis[aqua(1,10- phenanthroline)zinc(II)]
• Formula: C42 H32 N4 O10 Zn2
• Calculated formula: C42 H32 N4 O10 Zn2
• SMILES: O1C(=O)c2c(cccc2)CC2=[O][Zn]3(O2)([n]2cccc4ccc5ccc[n]3c5c24)(OC(=O)c2c(cccc2)CC2=[O][Zn]31([n]1cccc4ccc5ccc[n]3c5c14)(O2)[OH2])[OH2]
• Title of publication: Di-μ-homophthalato-κ^3^<i>O</i>:<i>O</i>',<i>O</i>'';κ^3^<i>O</i>',<i>O</i>'':<i>O</i>-bis[aqua(1,10-phenanthroline)zinc(II)]
• Authors of publication: Jian-Hua Sun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m2799 - m2801
• a: 8.8379 ± 0.0007 Å
• b: 19.2033 ± 0.0015 Å
• c: 13.0939 ± 0.0008 Å
• α: 90°
• β: 123.169 ± 0.004°
• γ: 90°
• Cell volume: 1860.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes