Information card for entry 2017846

Structure parameters

• Formula: C22 H40 Cl2 Co N4
• Calculated formula: C21.997 H39.991 Cl2 Co N4
• Title of publication: Intramolecular hydrogen bonding in dichloridobis(3,5-di-<i>tert</i>-butyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)cobalt(II) as a consequence of ligand steric bulk
• Authors of publication: Guzei, Ilia A.; Spencer, Lara C.; Ainooson, Michael K.; Darkwa, James
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m336 - m338
• a: 12.483 ± 0.004 Å
• b: 17.516 ± 0.007 Å
• c: 12.604 ± 0.004 Å
• α: 90°
• β: 90.22 ± 0.02°
• γ: 90°
• Cell volume: 2755.9 ± 1.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.194
• Weighted residual factors for all reflections included in the refinement: 0.2051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes