Information card for entry 7201746

Structure parameters

• Formula: C24 H18 N2 Ni O5
• Calculated formula: C24 H16 N2 Ni O5
• Title of publication: Metal‒organic coordination architectures with 3-pyridin-3-yl-benzoate: crystal structures, fluorescent emission and magnetic properties
• Authors of publication: Zhong, Rui-Qin; Zou, Ru-Qiang; Du, Miao; Jiang, Ling; Yamada, Tetsuya; Maruta, Goro; Takeda, Sadamu; Xu, Qiang
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 605
• a: 9.915 ± 0.002 Å
• b: 12.442 ± 0.003 Å
• c: 17.504 ± 0.004 Å
• α: 90°
• β: 104.17 ± 0.03°
• γ: 90°
• Cell volume: 2093.6 ± 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: 0.0747
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No