Information card for entry 4500912

Structure parameters

• Formula: C22 H16 N3 Ni1.5 O14.5
• Calculated formula: C22 H16 N3 Ni1.5 O14.5
• Title of publication: Construction of 5-Aminodiacetic Isophthalate Based Nickel(II) Complexes with Diverse Topologies through Modulating the Auxiliary Ligands
• Authors of publication: Ma, Jie; Jiang, Fei-Long; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Han, Dong; Feng, Rui; Hong, Mao-Chun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 3273
• a: 15.3745 ± 0.001 Å
• b: 20.4521 ± 0.0014 Å
• c: 18.0331 ± 0.0013 Å
• α: 90°
• β: 93.104 ± 0.004°
• γ: 90°
• Cell volume: 5662 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0788
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1985
• Weighted residual factors for all reflections included in the refinement: 0.2117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No