Information card for entry 2020612

Structure parameters

• Chemical name: Chlorido[hydrotris(3-phenylpyrazolyl-κ<i>N</i>^2^)borato](3-phenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)nickel(II) chloroform monosolvate
• Formula: C37 H31 B Cl4 N8 Ni
• Calculated formula: C37 H31 B Cl4 N8 Ni
• 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: 11.941 ± 0.002 Å
• b: 11.986 ± 0.002 Å
• c: 14.034 ± 0.002 Å
• α: 80.223 ± 0.002°
• β: 81.483 ± 0.002°
• γ: 67.81 ± 0.002°
• Cell volume: 1825.1 ± 0.5 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: 0.0698
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes