Information card for entry 8107297

Structure parameters

• Formula: C15 H13 B F9 N7 Ni O
• Calculated formula: C15 H13 B F9 N7 Ni O
• Title of publication: The crystal structure of nitroxyl-κ N-{hydridotris(3-trifluoromethyl-5-methylpyrazolyl-1-yl-κN 3)borato}nickel(II), C15H13BF9N7NiO
• Authors of publication: Fujisawa, Kiyoshi; Kataoka, Taisei; Terashima, Kohei; Tiekink, Edward R. T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 6
• Pages of publication: 1075 - 1078
• a: 17.8513 ± 0.0003 Å
• b: 13.3869 ± 0.0002 Å
• c: 8.5944 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2053.83 ± 0.07 ų
• Cell temperature: 124 ± 2 K
• Ambient diffraction temperature: 124 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No