Information card for entry 7205242

Structure parameters

• Formula: C36 H40 N4 O17 Zn2
• Calculated formula: C36 H36 N4 O17 Zn2
• SMILES: [Zn]1(OC(=O)c2ccc(C(=O)[O-])cc2c2cc(ccc2C(=O)O[Zn]2([OH2])([OH2])([OH2])[n]3ccccc3c3[n]2cccc3)C(=O)[O-])([OH2])([OH2])([OH2])[n]2ccccc2c2[n]1cccc2.O.O.O
• Title of publication: A series of complexes based on biphenyl-2,5,2′,5′-tetracarboxylic acid: syntheses, crystal structures, luminescent and magnetic properties
• Authors of publication: Tian, Dan; Pang, Yu; Zhou, Yan-Hong; Guan, Li; Zhang, Hong
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 957
• a: 14.264 Å
• b: 19.306 Å
• c: 15.435 Å
• α: 90°
• β: 113.44°
• γ: 90°
• Cell volume: 3899.74 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1214
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No