Information card for entry 7708587

Structure parameters

• Formula: C68 H104 B2 N2 O2 Sm2
• Calculated formula: C68 H104 B2 N2 O2 Sm2
• Title of publication: Cooperative Dinitrogen Capture by a Diboraanthracene/Samarocene Pair
• Authors of publication: Xu, Song; Essex, Laura; Nguyen, Joseph; Farias, Phillip; Ziller, Joseph W.; Harman, Hill; Evans, William J.
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 17.853 ± 0.002 Å
• b: 21.946 ± 0.003 Å
• c: 17.947 ± 0.002 Å
• α: 90°
• β: 112.106 ± 0.0015°
• γ: 90°
• Cell volume: 6514.8 ± 1.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No