Information card for entry 4341165

Structure parameters

• Formula: C31 H38.5 Br F6 N4 O2.33 P Pd
• Calculated formula: C31 H38 Br F6 N4 O2.25 P Pd
• Title of publication: Determining the electron-donating properties of bidentate ligands by (13)c NMR spectroscopy.
• Authors of publication: Teng, Qiaoqiao; Huynh, Han Vinh
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 20
• Pages of publication: 10964 - 10973
• a: 13.0939 ± 0.0006 Å
• b: 13.0939 ± 0.0006 Å
• c: 34.369 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5103.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No