Information card for entry 1564104

Structure parameters

• Chemical name: Ethanol(nitrato)[tris(4-cyano-3-phenyl-1<i>H</i>-pyrazol-1-yl)hydroborato]nickel(II)
• Formula: C32 H24 B N10 Ni O4
• Calculated formula: C32 H25 B N10 Ni O4
• Title of publication: Ethanol(nitrato)[tris(4-cyano-3-phenyl-1<i>H</i>-pyrazol-1-yl)hydroborato]nickel(II)
• Authors of publication: Salerno, Elvin V.; Kadel, Lava R.; Eichhorn, David M.
• Journal of publication: IUCrData
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 7
• Pages of publication: x210690
• a: 16.627 ± 0.006 Å
• b: 18.03 ± 0.007 Å
• c: 21.293 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6383 ± 4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes