Information card for entry 7711348

Structure parameters

• Formula: C45 H69 B Fe N O2 P2
• Calculated formula: C45 H69 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: 36.5218 ± 0.0011 Å
• b: 10.8538 ± 0.0005 Å
• c: 23.1258 ± 0.0008 Å
• α: 90°
• β: 91.548 ± 0.003°
• γ: 90°
• Cell volume: 9163.7 ± 0.6 ų
• Cell temperature: 99.9 ± 0.3 K
• Ambient diffraction temperature: 99.9 ± 0.3 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No