Information card for entry 7704395

Structure parameters

• Formula: C84 H60 Fe3 N6
• Calculated formula: C84 H60 Fe3 N6
• Title of publication: A ferrocene-templated Pd-bearing molecular reactor.
• Authors of publication: Kasprzak, Artur; Guńka, Piotr A
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 21
• Pages of publication: 6974 - 6979
• a: 24.9627 ± 0.0011 Å
• b: 24.9627 ± 0.0011 Å
• c: 20.5795 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11105.8 ± 0.9 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0854
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No