Information card for entry 1571069

Structure parameters

• Formula: C46 H82 Fe2 K2 N6 O12 Pb9
• Calculated formula: C46 H82 Fe2 K2 N6 O12 Pb9
• Title of publication: Fe-Fe bonding in the rhombic Fe₄ cores of the Zintl clusters [Fe₄E₁₈]^4- (E = Sn and Pb).
• Authors of publication: Chen, Wei-Xing; Li, Zi-Sheng; Morgan, Harry W. T.; Shu, Cong-Cong; Sun, Zhong-Ming; McGrady, John E.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 13
• Pages of publication: 4981 - 4988
• a: 14.3298 ± 0.0001 Å
• b: 27.6726 ± 0.0002 Å
• c: 18.9178 ± 0.0002 Å
• α: 90°
• β: 110.718 ± 0.001°
• γ: 90°
• Cell volume: 7016.6 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0665
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1603
• Weighted residual factors for all reflections included in the refinement: 0.1658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No