Information card for entry 7710467

Structure parameters

• Formula: C34 H31 Cl3 O P2 Re
• Calculated formula: C34 H32 Cl3 O P2 Re
• Title of publication: α-Rhenabenzofuran with nonaromatic T₀ and aromatic S₁ states.
• Authors of publication: Tang, Junping; Wang, Yilun; Bai, Wei; Zhou, Yan; Yu, Wenyan; Li, Yang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 24
• Pages of publication: 9495 - 9500
• a: 9.653 ± 0.003 Å
• b: 9.994 ± 0.003 Å
• c: 17.068 ± 0.005 Å
• α: 96.175 ± 0.011°
• β: 99.797 ± 0.011°
• γ: 95.144 ± 0.011°
• Cell volume: 1603.3 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No