Information card for entry 7130079

Structure parameters

• Formula: C21 H18 Bi F2 N
• Calculated formula: C21 H18 Bi F2 N
• Title of publication: Synthesis, Structure and Properties of Trivalent and Pentavalent Tricarbabismatranes
• Authors of publication: Shimada, Shigeru; Yin, Shuang-Feng; Choe, Yoong-Kee
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 10.0487 ± 0.0003 Å
• b: 13.9834 ± 0.0004 Å
• c: 12.3014 ± 0.0004 Å
• α: 90°
• β: 101.586 ± 0.003°
• γ: 90°
• Cell volume: 1693.31 ± 0.09 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 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: 0.0223
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No