Information card for entry 7135899

Structure parameters

• Formula: C36 H47 B Br Fe N
• Calculated formula: C36 H47 B Br Fe N
• Title of publication: Incorporation of ferrocene moieties into the backbone of BCN hybrid polymers <i>via</i> 1,3-linkage.
• Authors of publication: Schütz, Vivien; Kroth, Jonas; Handrup, Kathrin; Klopf, Jonas; Friedrich, Alexandra; Helten, Holger
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 35
• Pages of publication: 8964 - 8968
• a: 17.243 ± 0.003 Å
• b: 10.7263 ± 0.0019 Å
• c: 18.391 ± 0.005 Å
• α: 90°
• β: 104.047 ± 0.009°
• γ: 90°
• Cell volume: 3299.8 ± 1.2 ų
• Cell temperature: 107 ± 2 K
• Ambient diffraction temperature: 107 ± 2 K
• Number of distinct elements: 6
• 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: 0.0421
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No