Information card for entry 7720547

Structure parameters

• Formula: C88 H78 B2 F10 Fe2 N12 O3
• Calculated formula: C88 H78 B2 F10 Fe2 N12 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: 14.2379 ± 0.0006 Å
• b: 15.3665 ± 0.0006 Å
• c: 21.6986 ± 0.0009 Å
• α: 92.18 ± 0.002°
• β: 106.103 ± 0.002°
• γ: 91.798 ± 0.002°
• Cell volume: 4553.5 ± 0.3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.0793
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1624
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No