Information card for entry 8107407

Structure parameters

• Chemical name: triaqua-[5-Bromo-2-carboxylatophenoxyacetato-k^3^ O,O',O'']nickel(II)
• Formula: C9 H11 Br Ni O8
• Calculated formula: C9 H11 Br Ni O8
• Title of publication: Crystal structure of triaqua-[5-bromo-2-(carboxylatomethoxy)benzoate-κ 3 O,O′,O″]nickel(II), C9H11BrNiO8
• Authors of publication: Xiao, Pan-Lei; Xiong, Xin-Ting; Ou-Yang, Xiao-Hui; Ren, Yue; Nie, Xu-Liang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 2
• Pages of publication: 247 - 248
• a: 8.5077 ± 0.0016 Å
• b: 6.7688 ± 0.0013 Å
• c: 22.459 ± 0.004 Å
• α: 90°
• β: 98.188 ± 0.002°
• γ: 90°
• Cell volume: 1280.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0331
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0585
• 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: No
• Has Fobs: No