Information card for entry 7133626

Structure parameters

• Formula: C16 H15 B Fe N2
• Calculated formula: C16 H15 B Fe N2
• Title of publication: Hybrid materials comprising ferrocene and diaminoborane moieties: linear concatenation versus macrocyclization
• Authors of publication: Schneider, Johannes Stephan; Helten, Holger
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 11.325 ± 0.003 Å
• b: 12.058 ± 0.004 Å
• c: 10.19 ± 0.004 Å
• α: 90°
• β: 110.437 ± 0.012°
• γ: 90°
• Cell volume: 1303.9 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0289
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No