Information card for entry 7711346

Structure parameters

• Formula: C40 H60 B Fe N O2 P2
• Calculated formula: C40 H60 B Fe N O2 P2
• Title of publication: Insertion chemistry of iron(ii) boryl complexes
• Authors of publication: Narro, Ana L.; Arman, Hadi D.; Tonzetich, Zachary J.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 10.7793 ± 0.0001 Å
• b: 19.2148 ± 0.0002 Å
• c: 18.6847 ± 0.0001 Å
• α: 90°
• β: 102.833 ± 0.001°
• γ: 90°
• Cell volume: 3773.35 ± 0.06 ų
• Cell temperature: 100.02 ± 0.18 K
• Ambient diffraction temperature: 100.02 ± 0.18 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: 0.0393
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No