Information card for entry 7705659

Structure parameters

• Formula: C63 H48 Bi2 N12
• Calculated formula: C63 H48 Bi2 N12
• Title of publication: 1,2,4-Triazolato paddlewheel dibismuth complexes with very short Bi(II)-Bi(II) bonds: bismuth(III) oxidation of 1,2,4-triazolato anions into neutral <i>N</i>-1,2,4-triazolyl radicals.
• Authors of publication: Zhao, Ming-Gang; Li, Li; He, Ru-Ru; Zhang, Xiang; Ma, Jian-Ping; Su, Ji-Hu; Zheng, Wenjun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 43
• Pages of publication: 15190 - 15194
• a: 8.8511 ± 0.0003 Å
• b: 11.8616 ± 0.0004 Å
• c: 14.2639 ± 0.0004 Å
• α: 97.805 ± 0.003°
• β: 104.276 ± 0.003°
• γ: 107.123 ± 0.003°
• Cell volume: 1351.4 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No