Information card for entry 4323672

Structure parameters

• Formula: C21 H48 B2 Co F8 N8 O3
• Calculated formula: C21 H48 B2 Co F8 N8 O3
• SMILES: [Co]1234[NH]5CN(CC[N]63CCN(C[NH]1CC[N]4(CC5)CC[NH]2CN(CC6)COC)COC)COC.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Template Synthesis, Properties, and Crystal Structure of a trigonal Bipyramidal Cobalt(II) Octaazamacrobicyclic Complex
• Authors of publication: Myunghyun Paik Suh; Jaeho Lee; Mi Young Han; Tea Sung Yoon
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 5651 - 5654
• a: 14.932 ± 0.003 Å
• b: 15.058 ± 0.005 Å
• c: 28.22 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6345 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1699
• Residual factor for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections: 0.3346
• Weighted residual factors for significantly intense reflections: 0.256
• Goodness-of-fit parameter for all reflections: 1.08
• Goodness-of-fit parameter for significantly intense reflections: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No