Information card for entry 1570858

Structure parameters

• Chemical name: Bis[2,6-bis(benzimidazol-2-yl)pyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']nickel(II) bis(trifluoromethanesulfonate) diethyl ether monosolvate
• Formula: C44 H36 F6 N10 Ni O7 S2
• Calculated formula: C44 H36 F6 N10 Ni O7 S2
• Title of publication: Bis[2,6-bis(benzimidazol-2-yl)pyridine-κ3 N,N′,N′′]nickel(II) bis(trifluoromethanesulfonate) diethyl ether monosolvate
• Authors of publication: Ruiz, Sarah E.; Arman, Hadi D.; Adrian, Rafael A.
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 1
• a: 12.1089 ± 0.0003 Å
• b: 13.3568 ± 0.0003 Å
• c: 14.0513 ± 0.0004 Å
• α: 90°
• β: 98.955 ± 0.003°
• γ: 90°
• Cell volume: 2244.9 ± 0.1 ų
• Cell temperature: 100 ± 0.13 K
• Ambient diffraction temperature: 100 ± 0.13 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No