Information card for entry 2020610

Structure parameters

• Chemical name: (4-<i>tert</i>-Butylphenolato-κ<i>O</i>)[hydrotris(3-phenylpyrazolyl-κ<i>N</i>^2^)borato]nickel(II)
• Formula: C37 H35 B N6 Ni O
• Calculated formula: C37 H35 B N6 Ni O
• Title of publication: Steric and electronic factor comparisons in hydrotris(3-phenylpyrazolyl)borate nickel(II) aryloxides
• Authors of publication: Green, William L.; Sirianni, Eric R.; Yap, Glenn P. A.; Riordan, Charles G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 11
• Pages of publication: 791 - 796
• a: 8.428 ± 0.003 Å
• b: 13.516 ± 0.007 Å
• c: 15.064 ± 0.007 Å
• α: 99.293 ± 0.015°
• β: 102.679 ± 0.016°
• γ: 90.9 ± 0.016°
• Cell volume: 1649.8 ± 1.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1053
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes