Information card for entry 1568013

Structure parameters

• Formula: C54 H46 Cl7 P2 Re
• Calculated formula: C54 H46 Cl7 P2 Re
• Title of publication: Synthesis and characterization of bi(metallacycloprop-1-ene) complexes.
• Authors of publication: Bai, Wei; Tsang, Long Yiu; Wang, Yilun; Li, Yang; Sung, Herman H. Y.; Williams, Ian D.; Jia, Guochen
• Journal of publication: Chemical science
• Year of publication: 2022
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 96 - 102
• a: 10.939 ± 0.0006 Å
• b: 13.109 ± 0.0006 Å
• c: 18.4122 ± 0.001 Å
• α: 85.943 ± 0.004°
• β: 80.643 ± 0.004°
• γ: 72.033 ± 0.004°
• Cell volume: 2477.5 ± 0.2 ų
• Cell temperature: 173.01 ± 0.1 K
• Ambient diffraction temperature: 173.01 ± 0.1 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: 0.0324
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No