Information card for entry 7130080

Structure parameters

• Formula: C21 H18 Bi Cl2 N
• Calculated formula: C21 H18 Bi Cl2 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: 8.3127 ± 0.0002 Å
• b: 9.8342 ± 0.0002 Å
• c: 11.527 ± 0.0002 Å
• α: 81.331 ± 0.002°
• β: 87.085 ± 0.002°
• γ: 86.766 ± 0.002°
• Cell volume: 929.21 ± 0.03 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0222
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No