Information card for entry 2229961

Structure parameters

• Chemical name: Bis(4'-hydroxybiphenyl-4-carboxylato-κ<i>O</i>^1^)(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')zinc
• Formula: C38 H26 N2 O6 Zn
• Calculated formula: C38 H26 N2 O6 Zn
• SMILES: c1(ccc(cc1)c1ccc(O)cc1)C(=O)O[Zn]1([n]2c3c4[n]1cccc4ccc3ccc2)OC(=O)c1ccc(cc1)c1ccc(O)cc1
• Title of publication: Bis(4'-hydroxybiphenyl-4-carboxylato-κ<i>O</i>^1^)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc
• Authors of publication: Wu, Wei-Ping; Wang, Jun; Lu, Lu; He, Xi-Yang; Zou, Li-Ke
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m568
• a: 15.378 ± 0.008 Å
• b: 10.616 ± 0.005 Å
• c: 17.816 ± 0.009 Å
• α: 90°
• β: 90.702 ± 0.009°
• γ: 90°
• Cell volume: 2908 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0361
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes