Information card for entry 7119086

Structure parameters

• Formula: C128 H78 B2 Cl2 F48 Pd4
• Calculated formula: C128 H78 B2 Cl2 F48 Pd4
• Title of publication: A mechanistic insight into metal-cluster pi-envelopment: a dual binding mode involving bent and planar ligand-conformers
• Authors of publication: Kohei Masai; Katsunori Shirato; Koji Yamamoto; Yuki Kurashige; Tetsuro Murahashi
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 6427
• a: 14.2381 ± 0.0006 Å
• b: 15.6226 ± 0.0007 Å
• c: 28.2509 ± 0.0012 Å
• α: 81.3277 ± 0.0009°
• β: 79.8346 ± 0.0009°
• γ: 77.6849 ± 0.001°
• Cell volume: 6001.1 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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 significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.2773
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No