Information card for entry 4323721

Structure parameters

• Formula: C88 H85 B2 Cl4 Co3 F48 N9 O4
• Calculated formula: C88 H85 B2 Cl4 Co3 F48 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: 12.71 ± 0.003 Å
• b: 23.251 ± 0.003 Å
• c: 18.702 ± 0.004 Å
• α: 90°
• β: 101.16 ± 0.02°
• γ: 90°
• Cell volume: 5422.3 ± 1.9 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1024
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections: 0.2071
• Weighted residual factors for significantly intense reflections: 0.184
• Goodness-of-fit parameter for all reflections: 1.03
• Goodness-of-fit parameter for significantly intense reflections: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No