Information card for entry 2243732

Structure parameters

• Chemical name: [3,10-Bis(4-fluorophenethyl)-1,3,5,8,10,12-hexaazacyclotetradecane]nickel(II) bis(perchlorate)
• Formula: C24 H36 Cl2 F2 N6 Ni O8
• Calculated formula: C24 H36 Cl2 F2 N6 Ni O8
• Title of publication: Crystal structure of [3,10-bis(4-fluorophenethyl)-1,3,5,8,10,12-hexaazacyclotetradecane]nickel(II) diperchlorate
• Authors of publication: Kwak, Chee-Hun; Chang, Mee
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 2
• Pages of publication: 148 - 152
• a: 16.991 ± 0.0012 Å
• b: 15.5187 ± 0.0011 Å
• c: 13.8864 ± 0.0009 Å
• α: 90°
• β: 126.189 ± 0.001°
• γ: 90°
• Cell volume: 2955.1 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0861
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes