Information card for entry 2232877

Structure parameters

• Chemical name: Bis[tris(1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methane]nickel(II) bis{[tris(1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methane]tris(thiocyanato- κ<i>N</i>)nickelate(II)} methanol disolvate
• Formula: C48 H48 N30 Ni3 O2 S6
• Calculated formula: C48 H48 N30 Ni3 O2 S6
• Title of publication: Bis[tris(1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methane]nickel(II) bis{[tris(1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methane]tris(thiocyanato-κ<i>N</i>)nickelate(II)} methanol disolvate
• Authors of publication: Lyubartseva, Ganna; Parkin, Sean; Mallik, Uma Prasad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1656 - m1657
• a: 33.4463 ± 0.0008 Å
• b: 7.3287 ± 0.0002 Å
• c: 27.2689 ± 0.0007 Å
• α: 90°
• β: 112.59 ± 0.001°
• γ: 90°
• Cell volume: 6171.3 ± 0.3 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes