Information card for entry 7135902

Structure parameters

• Formula: C60 H70 B2 Fe2 N2
• Calculated formula: C60 H70 B2 Fe2 N2
• 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: 9.0915 ± 0.0014 Å
• b: 13.861 ± 0.003 Å
• c: 20.005 ± 0.004 Å
• α: 90°
• β: 96.425 ± 0.015°
• γ: 90°
• Cell volume: 2505.1 ± 0.8 ų
• Cell temperature: 111 ± 2 K
• Ambient diffraction temperature: 111 ± 2 K
• Number of distinct elements: 5
• 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: 0.0665
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• 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