Information card for entry 7701118

Structure parameters

• Formula: C25.98 H33.28 B2 F8 Fe N9.34 O0.33
• Calculated formula: C25.984 H33.284 B2 F8 Fe N9.338 O0.327
• Title of publication: Iron(ii) tetrafluoroborate complexes of new tetradentate C-scorpionates as catalysts for the oxidative cleavage of trans-stilbene with H₂O₂.
• Authors of publication: Wang, Denan; Gardinier, James R.; Lindeman, Sergey V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 38
• Pages of publication: 14478 - 14489
• a: 20.1371 ± 0.0003 Å
• b: 12.73175 ± 0.00016 Å
• c: 25.9506 ± 0.0004 Å
• α: 90°
• β: 106.418 ± 0.0015°
• γ: 90°
• Cell volume: 6381.95 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No