Information card for entry 7133663

Structure parameters

• Formula: C83 H70 Cl18 N2 P2 Re
• Calculated formula: C76 H56 Cl4 N2 P2 Re
• Title of publication: Oxidation-induced coupling reactions of bi(metallacycloprop-1-ene) complexes.
• Authors of publication: Tsang, Long Yiu; Kong, Lam Cheung; Sung, Herman H. Y.; Williams, Ian D.; Jia, Guochen
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 78
• Pages of publication: 10946 - 10949
• a: 19.6823 ± 0.0007 Å
• b: 18.6829 ± 0.0007 Å
• c: 24.3283 ± 0.0008 Å
• α: 90°
• β: 110.713 ± 0.004°
• γ: 90°
• Cell volume: 8367.8 ± 0.6 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.1103
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1818
• Weighted residual factors for all reflections included in the refinement: 0.2027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No