Information card for entry 7132039

Structure parameters

• Formula: C50 H46 Cl2 O Os P2
• Calculated formula: C50 H46 Cl2 O Os P2
• Title of publication: Fused Metallacyclopropenes from Alkynylphenols
• Authors of publication: Fu, Bingjie; Bai, Wei; Zhao, Yue; Yang, Li; Jiang, Wen-Feng
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 19.4318 ± 0.0006 Å
• b: 10.3039 ± 0.0002 Å
• c: 22.3306 ± 0.0006 Å
• α: 90°
• β: 109.332 ± 0.003°
• γ: 90°
• Cell volume: 4219 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.037
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No