Information card for entry 8105297

Structure parameters

• Formula: C17 H14 N5 Ni O5
• Calculated formula: C17 H14 N5 Ni O5
• Title of publication: Crystal structure of poly[aqua-(μ4-benzene-1,2,4,5-tetracarboxylato-κ4O,O′,O′′,O′′′)bis(μ2-1-(4-(1H-imidazol-1-yl)benzyl)-1H-1,2,4-triazole-κ2 N:N)dinickel(II)], NiC17H14N5O5
• Authors of publication: Shi, Rui; Zhu, Xia; Lin, Shi-Yong; Su, Yi; He, Yu-Yang; Zhang, Song-Yao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 4
• Pages of publication: 817 - 819
• a: 7.8199 ± 0.0008 Å
• b: 8.6969 ± 0.0008 Å
• c: 13.1934 ± 0.0013 Å
• α: 93.955 ± 0.001°
• β: 99.951 ± 0.001°
• γ: 109.946 ± 0.001°
• Cell volume: 822.79 ± 0.14 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No