Information card for entry 2021039

Structure parameters

• Chemical name: Bis[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine-κ<i>N</i>]nickel(II) sulfate‒dimethylformamide‒water (1/1/4.25)
• Formula: C41 H41.5 N11 Ni O9.25 S
• Calculated formula: C41 H33 N11 Ni O9.25 S
• Title of publication: Topological study of diverse hydrogen-bonded patterns found in a system of a nickel(II) complex and the sulfate anion
• Authors of publication: Harvey, Miguel Angel; Suarez, Sebastián; Zolotarev, Pavel N.; Proserpio, Davide M.; Baggio, Ricardo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 3
• a: 13.406 ± 0.005 Å
• b: 24.365 ± 0.005 Å
• c: 28.114 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9183 ± 4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.2171
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for significantly intense reflections: 0.2284
• Weighted residual factors for all reflections included in the refinement: 0.334
• Goodness-of-fit parameter for all reflections included in the refinement: 0.845
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes