Information card for entry 2203289

Structure parameters

• Chemical name: [1,8-Bis(2-phenylethyl)-1,3,6,8,10,13-hexaazacyclotetradecane]nickel(II) ditetrafluoroborate
• Formula: C24 H38 B2 F8 N6 Ni
• Calculated formula: C24 H38 B2 F8 N6 Ni
• Title of publication: [1,8-Bis(2-phenylethyl)-1,3,6,8,10,13-hexaazacyclotetradecane]nickel(II) bis(tetrafluoroborate)
• Authors of publication: Li, Yan-Wu; Xiang, Hua; Lu, Tong-Bu; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: m314 - m316
• a: 11.427 ± 0.002 Å
• b: 8.329 ± 0.001 Å
• c: 15.622 ± 0.002 Å
• α: 90°
• β: 105.48 ± 0.003°
• γ: 90°
• Cell volume: 1432.9 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes