Information card for entry 7119087

Structure parameters

• Formula: C153 H106 B2 Cl2 F48 Pd4
• Calculated formula: C153 H106 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: 18.5114 ± 0.0007 Å
• b: 21.0181 ± 0.0007 Å
• c: 19.5326 ± 0.0007 Å
• α: 90°
• β: 111.452 ± 0.0009°
• γ: 90°
• Cell volume: 7073.2 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No