Information card for entry 7714026

Structure parameters

• Formula: C62 H82 B2 Fe N6 O Si
• Calculated formula: C62 H82 B2 Fe N6 O Si
• Title of publication: A complete series of N-heterocyclic tetrylenes (Si – Pb) with a 1,1’-ferrocenediyl backbone enabled by 1,3,2-diazaborolyl N-substituents
• Authors of publication: Guthardt, Robin; Jacob, Hannes Lukas; Bruhn, Clemens; Siemeling, Ulrich
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 12.2033 ± 0.0008 Å
• b: 23.7917 ± 0.0017 Å
• c: 19.6371 ± 0.0012 Å
• α: 90°
• β: 92.103 ± 0.005°
• γ: 90°
• Cell volume: 5697.5 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1209
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.221
• Weighted residual factors for all reflections included in the refinement: 0.2538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No