Information card for entry 7720548

Structure parameters

• Formula: C90 H81 B2 Co2 F10 N13 O3
• Calculated formula: C90 H81 B2 Co2 F10 N13 O3
• 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: 13.9956 ± 0.0007 Å
• b: 15.4261 ± 0.0006 Å
• c: 21.4618 ± 0.0007 Å
• α: 90.995 ± 0.003°
• β: 105.6 ± 0.004°
• γ: 91.867 ± 0.004°
• Cell volume: 4458.8 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0902
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1982
• Weighted residual factors for all reflections included in the refinement: 0.2187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No