Information card for entry 4323722

Structure parameters

• Formula: C71 H59 B2 Cl2 Co3 F40 N9 O4
• Calculated formula: C71 H59 B2 Cl2 Co3 F40 N9 O4
• Title of publication: The Chemistry of 1,3,5-Triazacyclohexane Complexes. 6.1Synthesis and Characterization of the Cobalt(II) Methoxide Core {Co3(OMe)4}2+
• Authors of publication: Randolf D. Köhn; Matthias Haufe; Gabriele Kociok-Köhn; Alexander C. Filippou
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 6064 - 6069
• a: 13.857 ± 0.002 Å
• b: 16.843 ± 0.003 Å
• c: 19.318 ± 0.002 Å
• α: 79.23 ± 0.02°
• β: 76.855 ± 0.013°
• γ: 70.1 ± 0.02°
• Cell volume: 4098.8 ± 1.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for all reflections: 0.0917
• Weighted residual factors for significantly intense reflections: 0.0848
• Goodness-of-fit parameter for all reflections: 0.957
• Goodness-of-fit parameter for significantly intense reflections: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No