Information card for entry 7720546

Structure parameters

• Formula: C92 H92 B2 Co2 F8 N12 O7
• Calculated formula: C92 H92 B2 Co2 F8 N12 O7
• Title of publication: Electronic effects of substituents on the catalytic conversion of thiolates to alcohols by carboxylate bridged nonheme binuclear Fe(II) and Co(II) complexes.
• Authors of publication: Chakraborty, Anuj Baran; Hazra, Rajib; Mukherjee, Srimayee; Majumdar, Amit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 1335 - 1348
• a: 14.1055 ± 0.0005 Å
• b: 19.2368 ± 0.0006 Å
• c: 19.9639 ± 0.0006 Å
• α: 84.734 ± 0.003°
• β: 71.04 ± 0.003°
• γ: 76.279 ± 0.003°
• Cell volume: 4976.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1823
• Weighted residual factors for all reflections included in the refinement: 0.1956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No