Information card for entry 2225873

Structure parameters

• Chemical name: Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato- κ^2^<i>O</i>,<i>O</i>')zinc(II) propane-1,3-diol solvate
• Formula: C27 H24 N4 O6 S Zn
• Calculated formula: C27 H24 N4 O6 S Zn
• SMILES: c1ccc2ccc3ccc[n]4c3c2[n]1[Zn]124(OS(=O)(=O)O1)[n]1cccc3ccc4ccc[n]2c4c13.OCCCO
• Title of publication: Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ^2^<i>O</i>,<i>O</i>')zinc(II) propane-1,3-diol solvate
• Authors of publication: Cui, Jiang-Dong; Zhong, Kai-Long; Liu, Yan-Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: m564
• a: 18.33 ± 0.004 Å
• b: 12.406 ± 0.003 Å
• c: 13.215 ± 0.003 Å
• α: 90°
• β: 121.78 ± 0.03°
• γ: 90°
• Cell volume: 2554.6 ± 1.3 ų
• Cell temperature: 223.15 K
• Ambient diffraction temperature: 223.15 K
• Number of distinct elements: 6
• 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: 0.0541
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes