Information card for entry 7205239

Structure parameters

• Formula: C36 H38 N4 Ni2 O16
• Calculated formula: C36 H36 N4 Ni2 O16
• SMILES: c1cccc2c3cccc[n]3[Ni]([n]12)(OC(=O)c1ccc(C(=O)[O-])cc1c1cc(C(=O)[O-])ccc1C(=O)O[Ni]1([n]2ccccc2c2cccc[n]12)([OH2])([OH2])[OH2])([OH2])([OH2])[OH2].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: 14.223 ± 0.002 Å
• b: 19.095 ± 0.003 Å
• c: 15.143 ± 0.002 Å
• α: 90°
• β: 113.099 ± 0.002°
• γ: 90°
• Cell volume: 3782.9 ± 0.9 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: 0.1141
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No