Information card for entry 7207878

Structure parameters

• Formula: C28 H42 Ni O14
• Calculated formula: C28 H42 Ni O14
• SMILES: [O-]C(=O)[C@H](c1cc2ccc(OC)cc2cc1)C.[O-]C(=O)[C@H](c1cc2ccc(OC)cc2cc1)C.[Ni]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O
• Title of publication: New homochiral ferroelectric supramolecular networks of complexes constructed by chiral S-naproxen ligand
• Authors of publication: Wang, Yong-Tao; Tang, Gui-Mei; Wan, Wen-Zhu; Wu, Yue; Tian, Ting-Cui; Wang, Jin-Hua; He, Chao; Long, Xi-Fa; Wang, Jun-Jie; Ng, Seik Weng
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 3802
• a: 8.909 ± 0.005 Å
• b: 8.91 ± 0.005 Å
• c: 20.68 ± 0.005 Å
• α: 90.753 ± 0.005°
• β: 99.662 ± 0.005°
• γ: 99.077 ± 0.005°
• Cell volume: 1596.7 ± 1.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1249
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.2019
• Weighted residual factors for all reflections included in the refinement: 0.2288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.256
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No