Information card for entry 7133629

Structure parameters

• Formula: C29 H31 B Fe2 N2
• Calculated formula: C29 H31 B Fe2 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: 11.278 ± 0.002 Å
• b: 11.1383 ± 0.0015 Å
• c: 19.453 ± 0.006 Å
• α: 90°
• β: 95.18 ± 0.012°
• γ: 90°
• Cell volume: 2433.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0353
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No