Information card for entry 7133628

Structure parameters

• Formula: C50 H66 B2 Fe2 N4
• Calculated formula: C50 H66 B2 Fe2 N4
• 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: 8.9103 ± 0.0019 Å
• b: 11.73 ± 0.003 Å
• c: 12.368 ± 0.004 Å
• α: 65.001 ± 0.013°
• β: 71.807 ± 0.016°
• γ: 78.23 ± 0.03°
• Cell volume: 1109.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No